[2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl] 4-chloranyl-1-methyl-pyrrole-2-carboxylate

Systemtic Name: [2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl] 4-chloranyl-1-methyl-pyrrole-2-carboxylate Openeye Name: [2-oxo-2-(2-thienylmethylamino)ethyl] 4-chloro-1-methyl-pyrrole-2-carboxylate CAS Name: 4-chloro-1-methyl-2-pyrrolecarboxylic acid [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 4-chloro-1-methylpyrrole-2-carboxylate Traditional Name: 4-chloro-1-methyl-pyrrole-2-carboxylic acid [2-keto-2-(2-thenylamino)ethyl] ester Formula: C13H13ClN2O3S MolecularWeight: 312.77192

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)OCC(=O)NCC2=CC=CS2)Cl

Isomeric SMILES

CN1C=C(C=C1C(=O)OCC(=O)NCC2=CC=CS2)Cl

InChI

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