4-[[1-(2-methyl-1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]sulfanylmethyl]benzoic acid

Systemtic Name: 4-[[1-(2-methyl-1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]sulfanylmethyl]benzoic acid Openeye Name: 4-[[1-methyl-2-(2-methyl-1H-indol-3-yl)-2-oxo-ethyl]sulfanylmethyl]benzoic acid CAS Name: 4-[[[1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl]thio]methyl]benzoic acid IUPAC Name: 4-[[1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl]sulfanylmethyl]benzoic acid Traditional Name: 4-[[[2-keto-1-methyl-2-(2-methyl-1H-indol-3-yl)ethyl]thio]methyl]benzoic acid Formula: C20H19NO3S MolecularWeight: 353.43476

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1)C(=O)C(C)SCC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1)C(=O)C(C)SCC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C20H19NO3S/c1-12-18(16-5-3-4-6-17(16)21-12)19(22)13(2)25-11-14-7-9-15(10-8-14)20(23)24/h3-10,13,21H,11H2,1-2H3,(H,23,24)