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

Systemtic Name: 2-(4-chloranyl-2-methyl-3-phenylsulfanyl-pyrrolo[3,2-c]pyridin-1-yl)ethanoic acid Openeye Name: 2-(4-chloro-2-methyl-3-phenylsulfanyl-pyrrolo[3,2-c]pyridin-1-yl)acetic acid CAS Name: 2-[4-chloro-2-methyl-3-(phenylthio)-1-pyrrolo[3,2-c]pyridinyl]acetic acid IUPAC Name: 2-(4-chloro-2-methyl-3-phenylsulfanylpyrrolo[3,2-c]pyridin-1-yl)acetic acid Traditional Name: 2-[4-chloro-2-methyl-3-(phenylthio)pyrrolo[3,2-c]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)C=CN=C2Cl)SC3=CC=CC=C3

Isomeric SMILES

CC1=C(C2=C(N1CC(=O)O)C=CN=C2Cl)SC3=CC=CC=C3

InChI

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