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

Systemtic Name: 2-[3-(4-chlorophenyl)sulfanyl-2-methyl-4-phenyl-pyrrolo[3,2-c]pyridin-1-yl]ethanoic acid Openeye Name: 2-[3-(4-chlorophenyl)sulfanyl-2-methyl-4-phenyl-pyrrolo[3,2-c]pyridin-1-yl]acetic acid CAS Name: 2-[3-[(4-chlorophenyl)thio]-2-methyl-4-phenyl-1-pyrrolo[3,2-c]pyridinyl]acetic acid IUPAC Name: 2-[3-(4-chlorophenyl)sulfanyl-2-methyl-4-phenylpyrrolo[3,2-c]pyridin-1-yl]acetic acid Traditional Name: 2-[3-[(4-chlorophenyl)thio]-2-methyl-4-phenyl-pyrrolo[3,2-c]pyridin-1-yl]acetic acid Formula: C22H17ClN2O2S MolecularWeight: 408.90058

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1CC(=O)O)C=CN=C2C3=CC=CC=C3)SC4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=C(C2=C(N1CC(=O)O)C=CN=C2C3=CC=CC=C3)SC4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H17ClN2O2S/c1-14-22(28-17-9-7-16(23)8-10-17)20-18(25(14)13-19(26)27)11-12-24-21(20)15-5-3-2-4-6-15/h2-12H,13H2,1H3,(H,26,27)