ethyl 3,5-dimethyl-4-[2-(phenylmethylsulfanyl)ethanoyl]-1H-pyrrole-2-carboxylate

Systemtic Name: ethyl 3,5-dimethyl-4-[2-(phenylmethylsulfanyl)ethanoyl]-1H-pyrrole-2-carboxylate Openeye Name: ethyl 4-(2-benzylsulfanylacetyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate CAS Name: 3,5-dimethyl-4-[1-oxo-2-(phenylmethylthio)ethyl]-1H-pyrrole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(2-benzylsulfanylacetyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate Traditional Name: 4-[2-(benzylthio)acetyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester Formula: C18H21NO3S MolecularWeight: 331.42924

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1)C)C(=O)CSCC2=CC=CC=C2)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1)C)C(=O)CSCC2=CC=CC=C2)C

InChI

InChI=1S/C18H21NO3S/c1-4-22-18(21)17-12(2)16(13(3)19-17)15(20)11-23-10-14-8-6-5-7-9-14/h5-9,19H,4,10-11H2,1-3H3