methyl 4-methylsulfanyl-2-[[1-oxidanyl-3,4-bis(oxidanylidene)naphthalen-2-yl]amino]butanoate

Systemtic Name: methyl 4-methylsulfanyl-2-[[1-oxidanyl-3,4-bis(oxidanylidene)naphthalen-2-yl]amino]butanoate Openeye Name: methyl 2-[(1-hydroxy-3,4-dioxo-2-naphthyl)amino]-4-methylsulfanyl-butanoate CAS Name: 2-[(1-hydroxy-3,4-dioxo-2-naphthalenyl)amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl 2-[(1-hydroxy-3,4-dioxonaphthalen-2-yl)amino]-4-methylsulfanylbutanoate Traditional Name: 2-[(1-hydroxy-3,4-diketo-2-naphthyl)amino]-4-(methylthio)butyric acid methyl ester Formula: C16H17NO5S MolecularWeight: 335.37488

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC1=C(C2=CC=CC=C2C(=O)C1=O)O

Isomeric SMILES

COC(=O)C(CCSC)NC1=C(C2=CC=CC=C2C(=O)C1=O)O

InChI

InChI=1S/C16H17NO5S/c1-22-16(21)11(7-8-23-2)17-12-13(18)9-5-3-4-6-10(9)14(19)15(12)20/h3-6,11,17-18H,7-8H2,1-2H3