3,4-bis[2-ethylsulfanylethyl-[(4-phenoxyphenyl)methyl]carbamoyl]cyclobutane-1,2-dicarboxylic acid

Systemtic Name: 3,4-bis[2-ethylsulfanylethyl-[(4-phenoxyphenyl)methyl]carbamoyl]cyclobutane-1,2-dicarboxylic acid Openeye Name: 3,4-bis[2-ethylsulfanylethyl-[(4-phenoxyphenyl)methyl]carbamoyl]cyclobutane-1,2-dicarboxylic acid CAS Name: 3,4-bis[[2-(ethylthio)ethyl-[(4-phenoxyphenyl)methyl]amino]-oxomethyl]cyclobutane-1,2-dicarboxylic acid IUPAC Name: 3,4-bis[2-ethylsulfanylethyl-[(4-phenoxyphenyl)methyl]carbamoyl]cyclobutane-1,2-dicarboxylic acid Traditional Name: 3,4-bis[2-(ethylthio)ethyl-(4-phenoxybenzyl)carbamoyl]cyclobutane-1,2-dicarboxylic acid Formula: C42H46N2O8S2 MolecularWeight: 770.95324

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Descriptors Computed from Structure

Canonical SMILES:

CCSCCN(CC1=CC=C(C=C1)OC2=CC=CC=C2)C(=O)C3C(C(C3C(=O)O)C(=O)O)C(=O)N(CCSCC)CC4=CC=C(C=C4)OC5=CC=CC=C5

Isomeric SMILES

CCSCCN(CC1=CC=C(C=C1)OC2=CC=CC=C2)C(=O)C3C(C(C3C(=O)O)C(=O)O)C(=O)N(CCSCC)CC4=CC=C(C=C4)OC5=CC=CC=C5

InChI

InChI=1S/C42H46N2O8S2/c1-3-53-25-23-43(27-29-15-19-33(20-16-29)51-31-11-7-5-8-12-31)39(45)35-36(38(42(49)50)37(35)41(47)48)40(46)44(24-26-54-4-2)28-30-17-21-34(22-18-30)52-32-13-9-6-10-14-32/h5-22,35-38H,3-4,23-28H2,1-2H3,(H,47,48)(H,49,50)