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

Systemtic Name: ethyl (E)-4-[(2-cyanophenyl)carbamothioylamino]-4-oxidanylidene-but-2-enoate Openeye Name: ethyl (E)-4-[(2-cyanophenyl)carbamothioylamino]-4-oxo-but-2-enoate CAS Name: (E)-4-[[(2-cyanoanilino)-sulfanylidenemethyl]amino]-4-oxo-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-4-[(2-cyanophenyl)carbamothioylamino]-4-oxobut-2-enoate Traditional Name: (E)-4-[(2-cyanophenyl)thiocarbamoylamino]-4-keto-but-2-enoic acid ethyl ester Formula: C14H13N3O3S MolecularWeight: 303.33632

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC(=O)NC(=S)NC1=CC=CC=C1C#N

Isomeric SMILES

CCOC(=O)/C=C/C(=O)NC(=S)NC1=CC=CC=C1C#N

InChI

InChI=1S/C14H13N3O3S/c1-2-20-13(19)8-7-12(18)17-14(21)16-11-6-4-3-5-10(11)9-15/h3-8H,2H2,1H3,(H2,16,17,18,21)/b8-7+