2-methoxyethyl 4-[(3-ethanoylphenyl)carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: 2-methoxyethyl 4-[(3-ethanoylphenyl)carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: 2-methoxyethyl 4-[(3-acetylphenyl)carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[(3-acetylanilino)-sulfanylidenemethyl]amino]-4-oxobutanoic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 4-[(3-acetylphenyl)carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[(3-acetylphenyl)thiocarbamoylamino]-4-keto-butyric acid 2-methoxyethyl ester Formula: C16H20N2O5S MolecularWeight: 352.4054

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)NC(=S)NC(=O)CCC(=O)OCCOC

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)NC(=S)NC(=O)CCC(=O)OCCOC

InChI

InChI=1S/C16H20N2O5S/c1-11(19)12-4-3-5-13(10-12)17-16(24)18-14(20)6-7-15(21)23-9-8-22-2/h3-5,10H,6-9H2,1-2H3,(H2,17,18,20,24)