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

Systemtic Name: [3-methyl-2-(4-methylsulfanylphenyl)-6-oxidanylidene-1-(6-pyrrolidin-1-ylhexyl)-7H-indol-5-yl] ethanoate Openeye Name: [3-methyl-2-(4-methylsulfanylphenyl)-6-oxo-1-(6-pyrrolidin-1-ylhexyl)-7H-indol-5-yl] acetate CAS Name: acetic 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] acetate Traditional Name: acetic acid [6-keto-3-methyl-2-[4-(methylthio)phenyl]-1-(6-pyrrolidinohexyl)-7H-indol-5-yl] ester Formula: C28H36N2O3S MolecularWeight: 480.66204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C2=C1C=C(C(=O)C2)OC(=O)C)CCCCCCN3CCCC3)C4=CC=C(C=C4)SC

Isomeric SMILES

CC1=C(N(C2=C1C=C(C(=O)C2)OC(=O)C)CCCCCCN3CCCC3)C4=CC=C(C=C4)SC

InChI

InChI=1S/C28H36N2O3S/c1-20-24-18-27(33-21(2)31)26(32)19-25(24)30(28(20)22-10-12-23(34-3)13-11-22)17-7-5-4-6-14-29-15-8-9-16-29/h10-13,18H,4-9,14-17,19H2,1-3H3