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

Systemtic Name: 2-[3-(4-bromophenyl)sulfanyl-4-chloranyl-2-methyl-pyrrolo[3,2-c]pyridin-1-yl]ethanoic acid Openeye Name: 2-[3-(4-bromophenyl)sulfanyl-4-chloro-2-methyl-pyrrolo[3,2-c]pyridin-1-yl]acetic acid CAS Name: 2-[3-[(4-bromophenyl)thio]-4-chloro-2-methyl-1-pyrrolo[3,2-c]pyridinyl]acetic acid IUPAC Name: 2-[3-(4-bromophenyl)sulfanyl-4-chloro-2-methylpyrrolo[3,2-c]pyridin-1-yl]acetic acid Traditional Name: 2-[3-[(4-bromophenyl)thio]-4-chloro-2-methyl-pyrrolo[3,2-c]pyridin-1-yl]acetic acid Formula: C16H12BrClN2O2S MolecularWeight: 411.70068

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12BrClN2O2S/c1-9-15(23-11-4-2-10(17)3-5-11)14-12(6-7-19-16(14)18)20(9)8-13(21)22/h2-7H,8H2,1H3,(H,21,22)