methyl 2-[[(2E)-2-hydroxyimino-3-(1H-indol-3-yl)propanoyl]amino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl 2-[[(2E)-2-hydroxyimino-3-(1H-indol-3-yl)propanoyl]amino]-4-methylsulfanyl-butanoate Openeye Name: methyl 2-[[(2E)-2-hydroxyimino-3-(1H-indol-3-yl)propanoyl]amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[(2E)-2-hydroxyimino-3-(1H-indol-3-yl)-1-oxopropyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl 2-[[(2E)-2-hydroxyimino-3-(1H-indol-3-yl)propanoyl]amino]-4-methylsulfanylbutanoate Traditional Name: 2-[[(2E)-2-hydroximino-3-(1H-indol-3-yl)propanoyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C17H21N3O4S MolecularWeight: 363.43134

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=O)C(=NO)CC1=CNC2=CC=CC=C21

Isomeric SMILES

COC(=O)C(CCSC)NC(=O)/C(=N/O)/CC1=CNC2=CC=CC=C21

InChI

InChI=1S/C17H21N3O4S/c1-24-17(22)14(7-8-25-2)19-16(21)15(20-23)9-11-10-18-13-6-4-3-5-12(11)13/h3-6,10,14,18,23H,7-9H2,1-2H3,(H,19,21)/b20-15+