ethyl 4-oxidanylidene-4-[[2,4,5-tris(chloranyl)phenyl]carbamothioylamino]but-2-enoate

Systemtic Name: ethyl 4-oxidanylidene-4-[[2,4,5-tris(chloranyl)phenyl]carbamothioylamino]but-2-enoate Openeye Name: ethyl 4-oxo-4-[(2,4,5-trichlorophenyl)carbamothioylamino]but-2-enoate CAS Name: 4-oxo-4-[[sulfanylidene-(2,4,5-trichloroanilino)methyl]amino]-2-butenoic acid ethyl ester IUPAC Name: ethyl 4-oxo-4-[(2,4,5-trichlorophenyl)carbamothioylamino]but-2-enoate Traditional Name: 4-keto-4-[(2,4,5-trichlorophenyl)thiocarbamoylamino]but-2-enoic acid ethyl ester Formula: C13H11Cl3N2O3S MolecularWeight: 381.66204

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC(=O)NC(=S)NC1=CC(=C(C=C1Cl)Cl)Cl

Isomeric SMILES

CCOC(=O)C=CC(=O)NC(=S)NC1=CC(=C(C=C1Cl)Cl)Cl

InChI

InChI=1S/C13H11Cl3N2O3S/c1-2-21-12(20)4-3-11(19)18-13(22)17-10-6-8(15)7(14)5-9(10)16/h3-6H,2H2,1H3,(H2,17,18,19,22)