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

Systemtic Name: methyl 2-[[3,4-bis(oxidanylidene)naphthalen-1-yl]amino]-4-methylsulfanyl-butanoate Openeye Name: methyl 2-[(3,4-dioxo-1-naphthyl)amino]-4-methylsulfanyl-butanoate CAS Name: 2-[(3,4-dioxo-1-naphthalenyl)amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl 2-[(3,4-dioxonaphthalen-1-yl)amino]-4-methylsulfanylbutanoate Traditional Name: 2-[(3,4-diketo-1-naphthyl)amino]-4-(methylthio)butyric acid methyl ester Formula: C16H17NO4S MolecularWeight: 319.37548

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC1=CC(=O)C(=O)C2=CC=CC=C21

Isomeric SMILES

COC(=O)C(CCSC)NC1=CC(=O)C(=O)C2=CC=CC=C21

InChI

InChI=1S/C16H17NO4S/c1-21-16(20)12(7-8-22-2)17-13-9-14(18)15(19)11-6-4-3-5-10(11)13/h3-6,9,12,17H,7-8H2,1-2H3