[3-methyl-2-(4-methylsulfanylphenyl)-6-oxidanylidene-1-(6-pyrrolidin-1-ylhexyl)-7H-indol-5-yl] benzoate

Systemtic Name: [3-methyl-2-(4-methylsulfanylphenyl)-6-oxidanylidene-1-(6-pyrrolidin-1-ylhexyl)-7H-indol-5-yl] benzoate Openeye Name: [3-methyl-2-(4-methylsulfanylphenyl)-6-oxo-1-(6-pyrrolidin-1-ylhexyl)-7H-indol-5-yl] benzoate CAS Name: benzoic acid [3-methyl-2-[4-(methylthio)phenyl]-6-oxo-1-[6-(1-pyrrolidinyl)hexyl]-7H-indol-5-yl] ester IUPAC Name: [3-methyl-2-(4-methylsulfanylphenyl)-6-oxo-1-(6-pyrrolidin-1-ylhexyl)-7H-indol-5-yl] benzoate Traditional Name: benzoic acid [6-keto-3-methyl-2-[4-(methylthio)phenyl]-1-(6-pyrrolidinohexyl)-7H-indol-5-yl] ester Formula: C33H38N2O3S MolecularWeight: 542.73142

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C2=C1C=C(C(=O)C2)OC(=O)C3=CC=CC=C3)CCCCCCN4CCCC4)C5=CC=C(C=C5)SC

Isomeric SMILES

CC1=C(N(C2=C1C=C(C(=O)C2)OC(=O)C3=CC=CC=C3)CCCCCCN4CCCC4)C5=CC=C(C=C5)SC

InChI

InChI=1S/C33H38N2O3S/c1-24-28-22-31(38-33(37)26-12-6-5-7-13-26)30(36)23-29(28)35(32(24)25-14-16-27(39-2)17-15-25)21-9-4-3-8-18-34-19-10-11-20-34/h5-7,12-17,22H,3-4,8-11,18-21,23H2,1-2H3