[2-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxylate

Systemtic Name: [2-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxylate Openeye Name: [2-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-2-oxo-ethyl] 2-methyl-1-methylsulfonyl-indoline-5-carboxylate CAS Name: 2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxylic acid [2-(2,5-dimethyl-1-propyl-3-pyrrolyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-oxoethyl] 2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxylate Traditional Name: 1-mesyl-2-methyl-indoline-5-carboxylic acid [2-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-2-keto-ethyl] ester Formula: C22H28N2O5S MolecularWeight: 432.53312

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=CC(=C1C)C(=O)COC(=O)C2=CC3=C(C=C2)N(C(C3)C)S(=O)(=O)C)C

Isomeric SMILES

CCCN1C(=CC(=C1C)C(=O)COC(=O)C2=CC3=C(C=C2)N(C(C3)C)S(=O)(=O)C)C

InChI

InChI=1S/C22H28N2O5S/c1-6-9-23-14(2)11-19(16(23)4)21(25)13-29-22(26)17-7-8-20-18(12-17)10-15(3)24(20)30(5,27)28/h7-8,11-12,15H,6,9-10,13H2,1-5H3