[2-oxidanylidene-2-[2-(phenylmethylsulfanyl)ethylamino]ethyl] 1-ethyl-2,5-dimethyl-pyrrole-3-carboxylate

Systemtic Name: [2-oxidanylidene-2-[2-(phenylmethylsulfanyl)ethylamino]ethyl] 1-ethyl-2,5-dimethyl-pyrrole-3-carboxylate Openeye Name: [2-(2-benzylsulfanylethylamino)-2-oxo-ethyl] 1-ethyl-2,5-dimethyl-pyrrole-3-carboxylate CAS Name: 1-ethyl-2,5-dimethyl-3-pyrrolecarboxylic acid [2-oxo-2-[2-(phenylmethylthio)ethylamino]ethyl] ester IUPAC Name: [2-(2-benzylsulfanylethylamino)-2-oxoethyl] 1-ethyl-2,5-dimethylpyrrole-3-carboxylate Traditional Name: 1-ethyl-2,5-dimethyl-pyrrole-3-carboxylic acid [2-[2-(benzylthio)ethylamino]-2-keto-ethyl] ester Formula: C20H26N2O3S MolecularWeight: 374.49704

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC(=C1C)C(=O)OCC(=O)NCCSCC2=CC=CC=C2)C

Isomeric SMILES

CCN1C(=CC(=C1C)C(=O)OCC(=O)NCCSCC2=CC=CC=C2)C

InChI

InChI=1S/C20H26N2O3S/c1-4-22-15(2)12-18(16(22)3)20(24)25-13-19(23)21-10-11-26-14-17-8-6-5-7-9-17/h5-9,12H,4,10-11,13-14H2,1-3H3,(H,21,23)