methyl 3-azanyl-2-[2,5-bis(chloranyl)phenyl]carbonyl-5-sulfanylidene-1,2-dihydropyrrole-4-carboxylate

Systemtic Name: methyl 3-azanyl-2-[2,5-bis(chloranyl)phenyl]carbonyl-5-sulfanylidene-1,2-dihydropyrrole-4-carboxylate Openeye Name: methyl 3-amino-2-(2,5-dichlorobenzoyl)-5-thioxo-1,2-dihydropyrrole-4-carboxylate CAS Name: 3-amino-2-[(2,5-dichlorophenyl)-oxomethyl]-5-sulfanylidene-1,2-dihydropyrrole-4-carboxylic acid methyl ester IUPAC Name: methyl 3-amino-2-(2,5-dichlorobenzoyl)-5-sulfanylidene-1,2-dihydropyrrole-4-carboxylate Traditional Name: 4-amino-5-(2,5-dichlorobenzoyl)-2-thioxo-3-pyrroline-3-carboxylic acid methyl ester Formula: C13H10Cl2N2O3S MolecularWeight: 345.2011

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C(NC1=S)C(=O)C2=C(C=CC(=C2)Cl)Cl)N

Isomeric SMILES

COC(=O)C1=C(C(NC1=S)C(=O)C2=C(C=CC(=C2)Cl)Cl)N

InChI

InChI=1S/C13H10Cl2N2O3S/c1-20-13(19)8-9(16)10(17-12(8)21)11(18)6-4-5(14)2-3-7(6)15/h2-4,10H,16H2,1H3,(H,17,21)