2-[3-(4-chlorophenyl)sulfanyl-2-methyl-pyrrolo[2,3-b]pyridin-1-yl]ethanoic acid

Systemtic Name: 2-[3-(4-chlorophenyl)sulfanyl-2-methyl-pyrrolo[2,3-b]pyridin-1-yl]ethanoic acid Openeye Name: 2-[3-(4-chlorophenyl)sulfanyl-2-methyl-pyrrolo[2,3-b]pyridin-1-yl]acetic acid CAS Name: 2-[3-[(4-chlorophenyl)thio]-2-methyl-1-pyrrolo[2,3-b]pyridinyl]acetic acid IUPAC Name: 2-[3-(4-chlorophenyl)sulfanyl-2-methylpyrrolo[2,3-b]pyridin-1-yl]acetic acid Traditional Name: 2-[3-[(4-chlorophenyl)thio]-2-methyl-pyrrolo[2,3-b]pyridin-1-yl]acetic acid Formula: C16H13ClN2O2S MolecularWeight: 332.80462

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1CC(=O)O)N=CC=C2)SC3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=C(C2=C(N1CC(=O)O)N=CC=C2)SC3=CC=C(C=C3)Cl

InChI

InChI=1S/C16H13ClN2O2S/c1-10-15(22-12-6-4-11(17)5-7-12)13-3-2-8-18-16(13)19(10)9-14(20)21/h2-8H,9H2,1H3,(H,20,21)