2-[4-chloranyl-2-methyl-3-(4-methylphenyl)sulfanyl-pyrrolo[3,2-c]pyridin-1-yl]ethanoic acid

Systemtic Name: 2-[4-chloranyl-2-methyl-3-(4-methylphenyl)sulfanyl-pyrrolo[3,2-c]pyridin-1-yl]ethanoic acid Openeye Name: 2-[4-chloro-2-methyl-3-(p-tolylsulfanyl)pyrrolo[3,2-c]pyridin-1-yl]acetic acid CAS Name: 2-[4-chloro-2-methyl-3-[(4-methylphenyl)thio]-1-pyrrolo[3,2-c]pyridinyl]acetic acid IUPAC Name: 2-[4-chloro-2-methyl-3-(4-methylphenyl)sulfanylpyrrolo[3,2-c]pyridin-1-yl]acetic acid Traditional Name: 2-[4-chloro-2-methyl-3-(p-tolylthio)pyrrolo[3,2-c]pyridin-1-yl]acetic acid Formula: C17H15ClN2O2S MolecularWeight: 346.8312

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(N(C3=C2C(=NC=C3)Cl)CC(=O)O)C

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(N(C3=C2C(=NC=C3)Cl)CC(=O)O)C

InChI

InChI=1S/C17H15ClN2O2S/c1-10-3-5-12(6-4-10)23-16-11(2)20(9-14(21)22)13-7-8-19-17(18)15(13)16/h3-8H,9H2,1-2H3,(H,21,22)