(3,3-dimethyl-2-oxidanylidene-butyl) 2-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxidanylidene-ethyl]sulfanylbenzoate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 2-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 2-[2-[(2S)-2-methylindolin-1-yl]-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]thio]benzoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 2-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]sulfanylbenzoate Traditional Name: 2-[[2-keto-2-[(2S)-2-methylindolin-1-yl]ethyl]thio]benzoic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C24H27NO4S MolecularWeight: 425.54048

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=CC=CC=C2N1C(=O)CSC3=CC=CC=C3C(=O)OCC(=O)C(C)(C)C

Isomeric SMILES

C[C@H]1CC2=CC=CC=C2N1C(=O)CSC3=CC=CC=C3C(=O)OCC(=O)C(C)(C)C

InChI

InChI=1S/C24H27NO4S/c1-16-13-17-9-5-7-11-19(17)25(16)22(27)15-30-20-12-8-6-10-18(20)23(28)29-14-21(26)24(2,3)4/h5-12,16H,13-15H2,1-4H3/t16-/m0/s1