ethyl 5,5-dimethyl-4-[(4-methylsulfonylphenyl)methyl]-2-oxidanylidene-1-(phenylmethyl)pyrrole-3-carboxylate

Systemtic Name: ethyl 5,5-dimethyl-4-[(4-methylsulfonylphenyl)methyl]-2-oxidanylidene-1-(phenylmethyl)pyrrole-3-carboxylate Openeye Name: ethyl 1-benzyl-5,5-dimethyl-4-[(4-methylsulfonylphenyl)methyl]-2-oxo-pyrrole-3-carboxylate CAS Name: 5,5-dimethyl-4-[(4-methylsulfonylphenyl)methyl]-2-oxo-1-(phenylmethyl)-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-benzyl-5,5-dimethyl-4-[(4-methylsulfonylphenyl)methyl]-2-oxopyrrole-3-carboxylate Traditional Name: 1-benzyl-2-keto-4-(4-mesylbenzyl)-5,5-dimethyl-3-pyrroline-3-carboxylic acid ethyl ester Formula: C24H27NO5S MolecularWeight: 441.53988

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(N(C1=O)CC2=CC=CC=C2)(C)C)CC3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CCOC(=O)C1=C(C(N(C1=O)CC2=CC=CC=C2)(C)C)CC3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C24H27NO5S/c1-5-30-23(27)21-20(15-17-11-13-19(14-12-17)31(4,28)29)24(2,3)25(22(21)26)16-18-9-7-6-8-10-18/h6-14H,5,15-16H2,1-4H3