[2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-2-oxidanylidene-ethyl] 4-(1H-indol-3-yl)butanoate

Systemtic Name: [2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-2-oxidanylidene-ethyl] 4-(1H-indol-3-yl)butanoate Openeye Name: [2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-2-oxo-ethyl] 4-(1H-indol-3-yl)butanoate CAS Name: 4-(1H-indol-3-yl)butanoic acid [2-[methyl-[[4-(methylthio)phenyl]methyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-2-oxoethyl] 4-(1H-indol-3-yl)butanoate Traditional Name: 4-(1H-indol-3-yl)butyric acid [2-keto-2-[methyl-[4-(methylthio)benzyl]amino]ethyl] ester Formula: C23H26N2O3S MolecularWeight: 410.52914

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)SC)C(=O)COC(=O)CCCC2=CNC3=CC=CC=C32

Isomeric SMILES

CN(CC1=CC=C(C=C1)SC)C(=O)COC(=O)CCCC2=CNC3=CC=CC=C32

InChI

InChI=1S/C23H26N2O3S/c1-25(15-17-10-12-19(29-2)13-11-17)22(26)16-28-23(27)9-5-6-18-14-24-21-8-4-3-7-20(18)21/h3-4,7-8,10-14,24H,5-6,9,15-16H2,1-2H3