[2-(2,5-dimethyl-1-propan-2-yl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 2-ethylsulfonylbenzoate

Systemtic Name: [2-(2,5-dimethyl-1-propan-2-yl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 2-ethylsulfonylbenzoate Openeye Name: [2-(1-isopropyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl] 2-ethylsulfonylbenzoate CAS Name: 2-ethylsulfonylbenzoic acid [2-(2,5-dimethyl-1-propan-2-yl-3-pyrrolyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-oxoethyl] 2-ethylsulfonylbenzoate Traditional Name: 2-esylbenzoic acid [2-(1-isopropyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl] ester Formula: C20H25NO5S MolecularWeight: 391.4812

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC=CC=C1C(=O)OCC(=O)C2=C(N(C(=C2)C)C(C)C)C

Isomeric SMILES

CCS(=O)(=O)C1=CC=CC=C1C(=O)OCC(=O)C2=C(N(C(=C2)C)C(C)C)C

InChI

InChI=1S/C20H25NO5S/c1-6-27(24,25)19-10-8-7-9-16(19)20(23)26-12-18(22)17-11-14(4)21(13(2)3)15(17)5/h7-11,13H,6,12H2,1-5H3