2-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxidanylidene-propan-2-yl]sulfanylbenzoic acid

Systemtic Name: 2-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxidanylidene-propan-2-yl]sulfanylbenzoic acid Openeye Name: 2-[(1S)-2-indolin-1-yl-1-methyl-2-oxo-ethyl]sulfanylbenzoic acid CAS Name: 2-[[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]thio]benzoic acid IUPAC Name: 2-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]sulfanylbenzoic acid Traditional Name: 2-[[(1S)-2-indolin-1-yl-2-keto-1-methyl-ethyl]thio]benzoic acid Formula: C18H17NO3S MolecularWeight: 327.39748

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCC2=CC=CC=C21)SC3=CC=CC=C3C(=O)O

Isomeric SMILES

C[C@@H](C(=O)N1CCC2=CC=CC=C21)SC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C18H17NO3S/c1-12(23-16-9-5-3-7-14(16)18(21)22)17(20)19-11-10-13-6-2-4-8-15(13)19/h2-9,12H,10-11H2,1H3,(H,21,22)/t12-/m0/s1