2-[[2-(5-chloranyl-1H-indol-3-yl)-2-oxidanylidene-ethanoyl]amino]-3-methyl-3-sulfanyl-butanoic acid

Systemtic Name: 2-[[2-(5-chloranyl-1H-indol-3-yl)-2-oxidanylidene-ethanoyl]amino]-3-methyl-3-sulfanyl-butanoic acid Openeye Name: 2-[[2-(5-chloro-1H-indol-3-yl)-2-oxo-acetyl]amino]-3-methyl-3-sulfanyl-butanoic acid CAS Name: 2-[[2-(5-chloro-1H-indol-3-yl)-1,2-dioxoethyl]amino]-3-mercapto-3-methylbutanoic acid IUPAC Name: 2-[[2-(5-chloro-1H-indol-3-yl)-2-oxoacetyl]amino]-3-methyl-3-sulfanylbutanoic acid Traditional Name: 2-[[2-(5-chloro-1H-indol-3-yl)-2-keto-acetyl]amino]-3-mercapto-3-methyl-butyric acid Formula: C15H15ClN2O4S MolecularWeight: 354.8086

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(C(=O)O)NC(=O)C(=O)C1=CNC2=C1C=C(C=C2)Cl)S

Isomeric SMILES

CC(C)(C(C(=O)O)NC(=O)C(=O)C1=CNC2=C1C=C(C=C2)Cl)S

InChI

InChI=1S/C15H15ClN2O4S/c1-15(2,23)12(14(21)22)18-13(20)11(19)9-6-17-10-4-3-7(16)5-8(9)10/h3-6,12,17,23H,1-2H3,(H,18,20)(H,21,22)