ethyl (E)-4-oxidanylidene-4-[[3-(2-phenylethanoylamino)phenyl]carbamothioylamino]but-2-enoate

Systemtic Name: ethyl (E)-4-oxidanylidene-4-[[3-(2-phenylethanoylamino)phenyl]carbamothioylamino]but-2-enoate Openeye Name: ethyl (E)-4-oxo-4-[[3-[(2-phenylacetyl)amino]phenyl]carbamothioylamino]but-2-enoate CAS Name: (E)-4-oxo-4-[[[3-[(1-oxo-2-phenylethyl)amino]anilino]-sulfanylidenemethyl]amino]-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-4-oxo-4-[[3-[(2-phenylacetyl)amino]phenyl]carbamothioylamino]but-2-enoate Traditional Name: (E)-4-keto-4-[[3-[(2-phenylacetyl)amino]phenyl]thiocarbamoylamino]but-2-enoic acid ethyl ester Formula: C21H21N3O4S MolecularWeight: 411.47414

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC(=O)NC(=S)NC1=CC=CC(=C1)NC(=O)CC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)/C=C/C(=O)NC(=S)NC1=CC=CC(=C1)NC(=O)CC2=CC=CC=C2

InChI

InChI=1S/C21H21N3O4S/c1-2-28-20(27)12-11-18(25)24-21(29)23-17-10-6-9-16(14-17)22-19(26)13-15-7-4-3-5-8-15/h3-12,14H,2,13H2,1H3,(H,22,26)(H2,23,24,25,29)/b12-11+