ethyl (E)-4-[[2-cyanoethyl-(phenylmethyl)carbamothioyl]amino]-4-oxidanylidene-but-2-enoate

Systemtic Name: ethyl (E)-4-[[2-cyanoethyl-(phenylmethyl)carbamothioyl]amino]-4-oxidanylidene-but-2-enoate Openeye Name: ethyl (E)-4-[[benzyl(2-cyanoethyl)carbamothioyl]amino]-4-oxo-but-2-enoate CAS Name: (E)-4-[[[2-cyanoethyl-(phenylmethyl)amino]-sulfanylidenemethyl]amino]-4-oxo-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-4-[[benzyl(2-cyanoethyl)carbamothioyl]amino]-4-oxobut-2-enoate Traditional Name: (E)-4-[[benzyl(2-cyanoethyl)thiocarbamoyl]amino]-4-keto-but-2-enoic acid ethyl ester Formula: C17H19N3O3S MolecularWeight: 345.41606

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC(=O)NC(=S)N(CCC#N)CC1=CC=CC=C1

Isomeric SMILES

CCOC(=O)/C=C/C(=O)NC(=S)N(CCC#N)CC1=CC=CC=C1

InChI

InChI=1S/C17H19N3O3S/c1-2-23-16(22)10-9-15(21)19-17(24)20(12-6-11-18)13-14-7-4-3-5-8-14/h3-5,7-10H,2,6,12-13H2,1H3,(H,19,21,24)/b10-9+