[(2S)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-1-oxidanylidene-propan-2-yl] 4-methylsulfanylbenzoate

Systemtic Name: [(2S)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-1-oxidanylidene-propan-2-yl] 4-methylsulfanylbenzoate Openeye Name: [(1S)-1-methyl-2-[(2S)-2-methylindolin-1-yl]-2-oxo-ethyl] 4-methylsulfanylbenzoate CAS Name: 4-(methylthio)benzoic acid [(2S)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl] 4-methylsulfanylbenzoate Traditional Name: 4-(methylthio)benzoic acid [(1S)-2-keto-1-methyl-2-[(2S)-2-methylindolin-1-yl]ethyl] ester Formula: C20H21NO3S MolecularWeight: 355.45064

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=CC=CC=C2N1C(=O)C(C)OC(=O)C3=CC=C(C=C3)SC

Isomeric SMILES

C[C@H]1CC2=CC=CC=C2N1C(=O)[C@H](C)OC(=O)C3=CC=C(C=C3)SC

InChI

InChI=1S/C20H21NO3S/c1-13-12-16-6-4-5-7-18(16)21(13)19(22)14(2)24-20(23)15-8-10-17(25-3)11-9-15/h4-11,13-14H,12H2,1-3H3/t13-,14-/m0/s1