ethyl 3-azanyl-2-[[2,5-bis(chloranyl)phenyl]carbamothioyl]but-2-enoate

Systemtic Name: ethyl 3-azanyl-2-[[2,5-bis(chloranyl)phenyl]carbamothioyl]but-2-enoate Openeye Name: ethyl 3-amino-2-[(2,5-dichlorophenyl)carbamothioyl]but-2-enoate CAS Name: 3-amino-2-[(2,5-dichloroanilino)-sulfanylidenemethyl]-2-butenoic acid ethyl ester IUPAC Name: ethyl 3-amino-2-[(2,5-dichlorophenyl)carbamothioyl]but-2-enoate Traditional Name: 3-amino-2-[(2,5-dichlorophenyl)thiocarbamoyl]but-2-enoic acid ethyl ester Formula: C13H14Cl2N2O2S MolecularWeight: 333.23346

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=C(C)N)C(=S)NC1=C(C=CC(=C1)Cl)Cl

Isomeric SMILES

CCOC(=O)C(=C(C)N)C(=S)NC1=C(C=CC(=C1)Cl)Cl

InChI

InChI=1S/C13H14Cl2N2O2S/c1-3-19-13(18)11(7(2)16)12(20)17-10-6-8(14)4-5-9(10)15/h4-6H,3,16H2,1-2H3,(H,17,20)