ethyl (2R,5R)-5-(3,3-dimethyl-2-oxidanylidene-butyl)-1-(4-methylphenyl)sulfonyl-2-thiophen-2-yl-2,5-dihydropyrrole-3-carboxylate

Systemtic Name: ethyl (2R,5R)-5-(3,3-dimethyl-2-oxidanylidene-butyl)-1-(4-methylphenyl)sulfonyl-2-thiophen-2-yl-2,5-dihydropyrrole-3-carboxylate Openeye Name: ethyl (2R,5R)-5-(3,3-dimethyl-2-oxo-butyl)-1-(p-tolylsulfonyl)-2-(2-thienyl)-2,5-dihydropyrrole-3-carboxylate CAS Name: (2R,5R)-5-(3,3-dimethyl-2-oxobutyl)-1-(4-methylphenyl)sulfonyl-2-thiophen-2-yl-2,5-dihydropyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl (2R,5R)-5-(3,3-dimethyl-2-oxobutyl)-1-(4-methylphenyl)sulfonyl-2-thiophen-2-yl-2,5-dihydropyrrole-3-carboxylate Traditional Name: (2R,5R)-5-(2-keto-3,3-dimethyl-butyl)-2-(2-thienyl)-1-tosyl-3-pyrroline-3-carboxylic acid ethyl ester Formula: C24H29NO5S2 MolecularWeight: 475.62076

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(N(C1C2=CC=CS2)S(=O)(=O)C3=CC=C(C=C3)C)CC(=O)C(C)(C)C

Isomeric SMILES

CCOC(=O)C1=C[C@H](N([C@H]1C2=CC=CS2)S(=O)(=O)C3=CC=C(C=C3)C)CC(=O)C(C)(C)C

InChI

InChI=1S/C24H29NO5S2/c1-6-30-23(27)19-14-17(15-21(26)24(3,4)5)25(22(19)20-8-7-13-31-20)32(28,29)18-11-9-16(2)10-12-18/h7-14,17,22H,6,15H2,1-5H3/t17-,22+/m0/s1