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

Systemtic Name: ethyl 2-[[2-(1H-indol-3-yl)-2-oxidanylidene-ethanoyl]amino]-3-methyl-3-sulfanyl-butanoate Openeye Name: ethyl 2-[[2-(1H-indol-3-yl)-2-oxo-acetyl]amino]-3-methyl-3-sulfanyl-butanoate CAS Name: 2-[[2-(1H-indol-3-yl)-1,2-dioxoethyl]amino]-3-mercapto-3-methylbutanoic acid ethyl ester IUPAC Name: ethyl 2-[[2-(1H-indol-3-yl)-2-oxoacetyl]amino]-3-methyl-3-sulfanylbutanoate Traditional Name: 2-[[2-(1H-indol-3-yl)-2-keto-acetyl]amino]-3-mercapto-3-methyl-butyric acid ethyl ester Formula: C17H20N2O4S MolecularWeight: 348.4167

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(C)(C)S)NC(=O)C(=O)C1=CNC2=CC=CC=C21

Isomeric SMILES

CCOC(=O)C(C(C)(C)S)NC(=O)C(=O)C1=CNC2=CC=CC=C21

InChI

InChI=1S/C17H20N2O4S/c1-4-23-16(22)14(17(2,3)24)19-15(21)13(20)11-9-18-12-8-6-5-7-10(11)12/h5-9,14,18,24H,4H2,1-3H3,(H,19,21)