2-[methyl-(phenylmethyl)amino]ethyl 3-[[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]methyl]-6-methyl-4-(3-nitrophenyl)-2,4-dihydro-[1,2]thiazolo[5,4-b]pyridine-5-carboxylate

Systemtic Name: 2-[methyl-(phenylmethyl)amino]ethyl 3-[[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]methyl]-6-methyl-4-(3-nitrophenyl)-2,4-dihydro-[1,2]thiazolo[5,4-b]pyridine-5-carboxylate Openeye Name: 2-[benzyl(methyl)amino]ethyl 3-[[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]methyl]-6-methyl-4-(3-nitrophenyl)-2,4-dihydroisothiazolo[5,4-b]pyridine-5-carboxylate CAS Name: 3-[[4-[bis(4-fluorophenyl)methyl]-1-piperazinyl]methyl]-6-methyl-4-(3-nitrophenyl)-2,4-dihydroisothiazolo[5,4-b]pyridine-5-carboxylic acid 2-[methyl-(phenylmethyl)amino]ethyl ester IUPAC Name: 2-[benzyl(methyl)amino]ethyl 3-[[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]methyl]-6-methyl-4-(3-nitrophenyl)-2,4-dihydro-[1,2]thiazolo[5,4-b]pyridine-5-carboxylate Traditional Name: 3-[[4-[bis(4-fluorophenyl)methyl]piperazino]methyl]-6-methyl-4-(3-nitrophenyl)-2,4-dihydroisothiazolo[5,4-b]pyridine-5-carboxylic acid 2-[benzyl(methyl)amino]ethyl ester Formula: C42H42F2N6O4S MolecularWeight: 764.882486

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C2=C(NSC2=N1)CN3CCN(CC3)C(C4=CC=C(C=C4)F)C5=CC=C(C=C5)F)C6=CC(=CC=C6)[N+](=O)[O-])C(=O)OCCN(C)CC7=CC=CC=C7

Isomeric SMILES

CC1=C(C(C2=C(NSC2=N1)CN3CCN(CC3)C(C4=CC=C(C=C4)F)C5=CC=C(C=C5)F)C6=CC(=CC=C6)[N+](=O)[O-])C(=O)OCCN(C)CC7=CC=CC=C7

InChI

InChI=1S/C42H42F2N6O4S/c1-28-37(42(51)54-24-23-47(2)26-29-7-4-3-5-8-29)38(32-9-6-10-35(25-32)50(52)53)39-36(46-55-41(39)45-28)27-48-19-21-49(22-20-48)40(30-11-15-33(43)16-12-30)31-13-17-34(44)18-14-31/h3-18,25,38,40,46H,19-24,26-27H2,1-2H3