ethyl (E)-4-oxidanylidene-4-(1-phenylethylcarbamothioylamino)but-2-enoate

Systemtic Name: ethyl (E)-4-oxidanylidene-4-(1-phenylethylcarbamothioylamino)but-2-enoate Openeye Name: ethyl (E)-4-oxo-4-(1-phenylethylcarbamothioylamino)but-2-enoate CAS Name: (E)-4-oxo-4-[[(1-phenylethylamino)-sulfanylidenemethyl]amino]-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-4-oxo-4-(1-phenylethylcarbamothioylamino)but-2-enoate Traditional Name: (E)-4-keto-4-(1-phenylethylthiocarbamoylamino)but-2-enoic acid ethyl ester Formula: C15H18N2O3S MolecularWeight: 306.38002

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18N2O3S/c1-3-20-14(19)10-9-13(18)17-15(21)16-11(2)12-7-5-4-6-8-12/h4-11H,3H2,1-2H3,(H2,16,17,18,21)/b10-9+