ethyl (E)-4-[[3-(hydroxymethyl)phenyl]carbamothioylamino]-4-oxidanylidene-but-2-enoate

Systemtic Name: ethyl (E)-4-[[3-(hydroxymethyl)phenyl]carbamothioylamino]-4-oxidanylidene-but-2-enoate Openeye Name: ethyl (E)-4-[[3-(hydroxymethyl)phenyl]carbamothioylamino]-4-oxo-but-2-enoate CAS Name: (E)-4-[[[3-(hydroxymethyl)anilino]-sulfanylidenemethyl]amino]-4-oxo-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-4-[[3-(hydroxymethyl)phenyl]carbamothioylamino]-4-oxobut-2-enoate Traditional Name: (E)-4-keto-4-[(3-methylolphenyl)thiocarbamoylamino]but-2-enoic acid ethyl ester Formula: C14H16N2O4S MolecularWeight: 308.35284

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC(=O)/C=C/C(=O)NC(=S)NC1=CC=CC(=C1)CO

InChI

InChI=1S/C14H16N2O4S/c1-2-20-13(19)7-6-12(18)16-14(21)15-11-5-3-4-10(8-11)9-17/h3-8,17H,2,9H2,1H3,(H2,15,16,18,21)/b7-6+