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

Systemtic Name: [3-methyl-2-(4-methylsulfanylphenyl)-1-(6-oxidanylidene-6-pyrrolidin-1-yl-hexyl)indol-5-yl] benzoate Openeye Name: [3-methyl-2-(4-methylsulfanylphenyl)-1-(6-oxo-6-pyrrolidin-1-yl-hexyl)indol-5-yl] benzoate CAS Name: benzoic acid [3-methyl-2-[4-(methylthio)phenyl]-1-[6-oxo-6-(1-pyrrolidinyl)hexyl]-5-indolyl] ester IUPAC Name: [3-methyl-2-(4-methylsulfanylphenyl)-1-(6-oxo-6-pyrrolidin-1-ylhexyl)indol-5-yl] benzoate Traditional Name: benzoic acid [1-(6-keto-6-pyrrolidino-hexyl)-3-methyl-2-[4-(methylthio)phenyl]indol-5-yl] ester Formula: C33H36N2O3S MolecularWeight: 540.71554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C2=C1C=C(C=C2)OC(=O)C3=CC=CC=C3)CCCCCC(=O)N4CCCC4)C5=CC=C(C=C5)SC

Isomeric SMILES

CC1=C(N(C2=C1C=C(C=C2)OC(=O)C3=CC=CC=C3)CCCCCC(=O)N4CCCC4)C5=CC=C(C=C5)SC

InChI

InChI=1S/C33H36N2O3S/c1-24-29-23-27(38-33(37)26-11-5-3-6-12-26)16-19-30(29)35(32(24)25-14-17-28(39-2)18-15-25)22-8-4-7-13-31(36)34-20-9-10-21-34/h3,5-6,11-12,14-19,23H,4,7-10,13,20-22H2,1-2H3