[2-oxidanylidene-2-(1-thiophen-2-ylethylamino)ethyl] 4-chloranyl-1H-pyrrole-2-carboxylate

Systemtic Name: [2-oxidanylidene-2-(1-thiophen-2-ylethylamino)ethyl] 4-chloranyl-1H-pyrrole-2-carboxylate Openeye Name: [2-oxo-2-[1-(2-thienyl)ethylamino]ethyl] 4-chloro-1H-pyrrole-2-carboxylate CAS Name: 4-chloro-1H-pyrrole-2-carboxylic acid [2-oxo-2-(1-thiophen-2-ylethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(1-thiophen-2-ylethylamino)ethyl] 4-chloro-1H-pyrrole-2-carboxylate Traditional Name: 4-chloro-1H-pyrrole-2-carboxylic acid [2-keto-2-[1-(2-thienyl)ethylamino]ethyl] ester Formula: C13H13ClN2O3S MolecularWeight: 312.77192

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CS1)NC(=O)COC(=O)C2=CC(=CN2)Cl

Isomeric SMILES

CC(C1=CC=CS1)NC(=O)COC(=O)C2=CC(=CN2)Cl

InChI

InChI=1S/C13H13ClN2O3S/c1-8(11-3-2-4-20-11)16-12(17)7-19-13(18)10-5-9(14)6-15-10/h2-6,8,15H,7H2,1H3,(H,16,17)