methyl 4-[(4-ethanoylphenyl)carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: methyl 4-[(4-ethanoylphenyl)carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: methyl 4-[(4-acetylphenyl)carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[(4-acetylanilino)-sulfanylidenemethyl]amino]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[(4-acetylphenyl)carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[(4-acetylphenyl)thiocarbamoylamino]-4-keto-butyric acid methyl ester Formula: C14H16N2O4S MolecularWeight: 308.35284

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)CCC(=O)OC

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)CCC(=O)OC

InChI

InChI=1S/C14H16N2O4S/c1-9(17)10-3-5-11(6-4-10)15-14(21)16-12(18)7-8-13(19)20-2/h3-6H,7-8H2,1-2H3,(H2,15,16,18,21)