tert-butyl 4-[(E)-3-[3-chloranyl-4-[2-chloranyl-3-(3,4-dihydro-1,2-benzodioxin-6-yl)-4-[(E)-3-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-3-oxidanylidene-prop-1-enyl]phenyl]sulfanyl-2-(3,4-dihydro-1,2-benzodioxin-6-yl)phenyl]prop-2-enoyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[(E)-3-[3-chloranyl-4-[2-chloranyl-3-(3,4-dihydro-1,2-benzodioxin-6-yl)-4-[(E)-3-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-3-oxidanylidene-prop-1-enyl]phenyl]sulfanyl-2-(3,4-dihydro-1,2-benzodioxin-6-yl)phenyl]prop-2-enoyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[(E)-3-[4-[4-[(E)-3-(4-tert-butoxycarbonylpiperazin-1-yl)-3-oxo-prop-1-enyl]-2-chloro-3-(3,4-dihydro-1,2-benzodioxin-6-yl)phenyl]sulfanyl-3-chloro-2-(3,4-dihydro-1,2-benzodioxin-6-yl)phenyl]prop-2-enoyl]piperazine-1-carboxylate CAS Name: 4-[(E)-3-[3-chloro-4-[[2-chloro-3-(3,4-dihydro-1,2-benzodioxin-6-yl)-4-[(E)-3-[4-[(2-methylpropan-2-yl)oxy-oxomethyl]-1-piperazinyl]-3-oxoprop-1-enyl]phenyl]thio]-2-(3,4-dihydro-1,2-benzodioxin-6-yl)phenyl]-1-oxoprop-2-enyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(E)-3-[3-chloro-4-[2-chloro-3-(3,4-dihydro-1,2-benzodioxin-6-yl)-4-[(E)-3-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-3-oxoprop-1-enyl]phenyl]sulfanyl-2-(3,4-dihydro-1,2-benzodioxin-6-yl)phenyl]prop-2-enoyl]piperazine-1-carboxylate Traditional Name: 4-[(E)-3-[4-[[4-[(E)-3-(4-tert-butoxycarbonylpiperazino)-3-keto-prop-1-enyl]-2-chloro-3-(3,4-dihydro-1,2-benzodioxin-6-yl)phenyl]thio]-3-chloro-2-(3,4-dihydro-1,2-benzodioxin-6-yl)phenyl]acryloyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C52H56Cl2N4O10S MolecularWeight: 999.99284

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C=CC2=C(C(=C(C=C2)SC3=C(C(=C(C=C3)C=CC(=O)N4CCN(CC4)C(=O)OC(C)(C)C)C5=CC6=C(C=C5)OOCC6)Cl)Cl)C7=CC8=C(C=C7)OOCC8

Isomeric SMILES

CC(OC(=O)N1CCN(CC1)C(=O)/C=C/C2=C(C(=C(C=C2)SC3=C(C(=C(C=C3)/C=C/C(=O)N4CCN(CC4)C(=O)OC(C)(C)C)C5=CC6=C(OOCC6)C=C5)Cl)Cl)C7=CC8=C(OOCC8)C=C7)(C)C

InChI

InChI=1S/C52H56Cl2N4O10S/c1-51(2,3)65-49(61)57-25-21-55(22-26-57)43(59)17-11-33-9-15-41(47(53)45(33)37-7-13-39-35(31-37)19-29-63-67-39)69-42-16-10-34(46(48(42)54)38-8-14-40-36(32-38)20-30-64-68-40)12-18-44(60)56-23-27-58(28-24-56)50(62)66-52(4,5)6/h7-18,31-32H,19-30H2,1-6H3/b17-11+,18-12+