ethyl 2-azanyl-4-[(3-chloranyl-4-fluoranyl-phenyl)sulfanylmethyl]-5-(methylcarbamoyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-azanyl-4-[(3-chloranyl-4-fluoranyl-phenyl)sulfanylmethyl]-5-(methylcarbamoyl)thiophene-3-carboxylate Openeye Name: ethyl 2-amino-4-[(3-chloro-4-fluoro-phenyl)sulfanylmethyl]-5-(methylcarbamoyl)thiophene-3-carboxylate CAS Name: 2-amino-4-[[(3-chloro-4-fluorophenyl)thio]methyl]-5-(methylcarbamoyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-amino-4-[(3-chloro-4-fluorophenyl)sulfanylmethyl]-5-(methylcarbamoyl)thiophene-3-carboxylate Traditional Name: 2-amino-4-[[(3-chloro-4-fluoro-phenyl)thio]methyl]-5-(methylcarbamoyl)thiophene-3-carboxylic acid ethyl ester Formula: C16H16ClFN2O3S2 MolecularWeight: 402.891243

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1CSC2=CC(=C(C=C2)F)Cl)C(=O)NC)N

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1CSC2=CC(=C(C=C2)F)Cl)C(=O)NC)N

InChI

InChI=1S/C16H16ClFN2O3S2/c1-3-23-16(22)12-9(13(15(21)20-2)25-14(12)19)7-24-8-4-5-11(18)10(17)6-8/h4-6H,3,7,19H2,1-2H3,(H,20,21)