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

Systemtic Name: ethyl 2,5-dimethyl-1-[2-oxidanylidene-2-(2-phenylsulfanylethylamino)ethyl]pyrrole-3-carboxylate Openeye Name: ethyl 2,5-dimethyl-1-[2-oxo-2-(2-phenylsulfanylethylamino)ethyl]pyrrole-3-carboxylate CAS Name: 2,5-dimethyl-1-[2-oxo-2-[2-(phenylthio)ethylamino]ethyl]-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 2,5-dimethyl-1-[2-oxo-2-(2-phenylsulfanylethylamino)ethyl]pyrrole-3-carboxylate Traditional Name: 1-[2-keto-2-[2-(phenylthio)ethylamino]ethyl]-2,5-dimethyl-pyrrole-3-carboxylic acid ethyl ester Formula: C19H24N2O3S MolecularWeight: 360.47046

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=C1)C)CC(=O)NCCSC2=CC=CC=C2)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=C1)C)CC(=O)NCCSC2=CC=CC=C2)C

InChI

InChI=1S/C19H24N2O3S/c1-4-24-19(23)17-12-14(2)21(15(17)3)13-18(22)20-10-11-25-16-8-6-5-7-9-16/h5-9,12H,4,10-11,13H2,1-3H3,(H,20,22)