[2-(7-ethyl-1H-indol-3-yl)-2-oxidanylidene-ethyl] 2-benzamido-4-methylsulfanyl-butanoate

Systemtic Name: [2-(7-ethyl-1H-indol-3-yl)-2-oxidanylidene-ethyl] 2-benzamido-4-methylsulfanyl-butanoate Openeye Name: [2-(7-ethyl-1H-indol-3-yl)-2-oxo-ethyl] 2-benzamido-4-methylsulfanyl-butanoate CAS Name: 2-benzamido-4-(methylthio)butanoic acid [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] ester IUPAC Name: [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 2-benzamido-4-methylsulfanylbutanoate Traditional Name: 2-benzamido-4-(methylthio)butyric acid [2-(7-ethyl-1H-indol-3-yl)-2-keto-ethyl] ester Formula: C24H26N2O4S MolecularWeight: 438.53924

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC2=C1NC=C2C(=O)COC(=O)C(CCSC)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CCC1=CC=CC2=C1NC=C2C(=O)COC(=O)C(CCSC)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C24H26N2O4S/c1-3-16-10-7-11-18-19(14-25-22(16)18)21(27)15-30-24(29)20(12-13-31-2)26-23(28)17-8-5-4-6-9-17/h4-11,14,20,25H,3,12-13,15H2,1-2H3,(H,26,28)