[2-oxidanylidene-2-(2-phenylsulfanylethylamino)ethyl] 1H-pyrrole-2-carboxylate

Systemtic Name: [2-oxidanylidene-2-(2-phenylsulfanylethylamino)ethyl] 1H-pyrrole-2-carboxylate Openeye Name: [2-oxo-2-(2-phenylsulfanylethylamino)ethyl] 1H-pyrrole-2-carboxylate CAS Name: 1H-pyrrole-2-carboxylic acid [2-oxo-2-[2-(phenylthio)ethylamino]ethyl] ester IUPAC Name: [2-oxo-2-(2-phenylsulfanylethylamino)ethyl] 1H-pyrrole-2-carboxylate Traditional Name: 1H-pyrrole-2-carboxylic acid [2-keto-2-[2-(phenylthio)ethylamino]ethyl] ester Formula: C15H16N2O3S MolecularWeight: 304.36414

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCCNC(=O)COC(=O)C2=CC=CN2

Isomeric SMILES

C1=CC=C(C=C1)SCCNC(=O)COC(=O)C2=CC=CN2

InChI

InChI=1S/C15H16N2O3S/c18-14(11-20-15(19)13-7-4-8-16-13)17-9-10-21-12-5-2-1-3-6-12/h1-8,16H,9-11H2,(H,17,18)