ethyl 4-[(3-ethanoylphenyl)carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: ethyl 4-[(3-ethanoylphenyl)carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: ethyl 4-[(3-acetylphenyl)carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[(3-acetylanilino)-sulfanylidenemethyl]amino]-4-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[(3-acetylphenyl)carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[(3-acetylphenyl)thiocarbamoylamino]-4-keto-butyric acid ethyl ester Formula: C15H18N2O4S MolecularWeight: 322.37942

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(=O)NC(=S)NC1=CC=CC(=C1)C(=O)C

Isomeric SMILES

CCOC(=O)CCC(=O)NC(=S)NC1=CC=CC(=C1)C(=O)C

InChI

InChI=1S/C15H18N2O4S/c1-3-21-14(20)8-7-13(19)17-15(22)16-12-6-4-5-11(9-12)10(2)18/h4-6,9H,3,7-8H2,1-2H3,(H2,16,17,19,22)