(2S)-2-[(4-methoxy-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: (2S)-2-[(4-methoxy-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]-4-methylsulfanyl-butanoic acid Openeye Name: (2S)-2-[(4-methoxy-6-oxo-cyclohexa-2,4-dien-1-ylidene)methylamino]-4-methylsulfanyl-butanoic acid CAS Name: (2S)-2-[(4-methoxy-6-oxo-1-cyclohexa-2,4-dienylidene)methylamino]-4-(methylthio)butanoic acid IUPAC Name: (2S)-2-[(4-methoxy-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]-4-methylsulfanylbutanoic acid Traditional Name: (2S)-2-[(6-keto-4-methoxy-cyclohexa-2,4-dien-1-ylidene)methylamino]-4-(methylthio)butyric acid Formula: C13H17NO4S MolecularWeight: 283.34338

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=O)C(=CNC(CCSC)C(=O)O)C=C1

Isomeric SMILES

COC1=CC(=O)C(=CN[C@@H](CCSC)C(=O)O)C=C1

InChI

InChI=1S/C13H17NO4S/c1-18-10-4-3-9(12(15)7-10)8-14-11(13(16)17)5-6-19-2/h3-4,7-8,11,14H,5-6H2,1-2H3,(H,16,17)/t11-/m0/s1