[2-(1-ethylsulfonyl-2,3-dihydroindol-5-yl)-2-oxidanylidene-ethyl] (3S)-3-phenylbutanoate

Systemtic Name: [2-(1-ethylsulfonyl-2,3-dihydroindol-5-yl)-2-oxidanylidene-ethyl] (3S)-3-phenylbutanoate Openeye Name: [2-(1-ethylsulfonylindolin-5-yl)-2-oxo-ethyl] (3S)-3-phenylbutanoate CAS Name: (3S)-3-phenylbutanoic acid [2-(1-ethylsulfonyl-2,3-dihydroindol-5-yl)-2-oxoethyl] ester IUPAC Name: [2-(1-ethylsulfonyl-2,3-dihydroindol-5-yl)-2-oxoethyl] (3S)-3-phenylbutanoate Traditional Name: (3S)-3-phenylbutyric acid [2-(1-esylindolin-5-yl)-2-keto-ethyl] ester Formula: C22H25NO5S MolecularWeight: 415.5026

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CCC2=C1C=CC(=C2)C(=O)COC(=O)CC(C)C3=CC=CC=C3

Isomeric SMILES

CCS(=O)(=O)N1CCC2=C1C=CC(=C2)C(=O)COC(=O)C[C@H](C)C3=CC=CC=C3

InChI

InChI=1S/C22H25NO5S/c1-3-29(26,27)23-12-11-18-14-19(9-10-20(18)23)21(24)15-28-22(25)13-16(2)17-7-5-4-6-8-17/h4-10,14,16H,3,11-13,15H2,1-2H3/t16-/m0/s1