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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC(=O)NC(=S)NC1=CC=C(C=C1)C#N

Isomeric SMILES

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

InChI

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