ethyl (E)-4-oxidanylidene-4-[(phenylmethyl)carbamothioylamino]but-2-enoate

Systemtic Name: ethyl (E)-4-oxidanylidene-4-[(phenylmethyl)carbamothioylamino]but-2-enoate Openeye Name: ethyl (E)-4-(benzylcarbamothioylamino)-4-oxo-but-2-enoate CAS Name: (E)-4-oxo-4-[[[(phenylmethyl)amino]-sulfanylidenemethyl]amino]-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-4-(benzylcarbamothioylamino)-4-oxobut-2-enoate Traditional Name: (E)-4-(benzylthiocarbamoylamino)-4-keto-but-2-enoic acid ethyl ester Formula: C14H16N2O3S MolecularWeight: 292.35344

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC(=O)NC(=S)NCC1=CC=CC=C1

Isomeric SMILES

CCOC(=O)/C=C/C(=O)NC(=S)NCC1=CC=CC=C1

InChI

InChI=1S/C14H16N2O3S/c1-2-19-13(18)9-8-12(17)16-14(20)15-10-11-6-4-3-5-7-11/h3-9H,2,10H2,1H3,(H2,15,16,17,20)/b9-8+