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

Systemtic Name: 2-[2-methyl-3-(4-methylsulfonylphenyl)sulfanyl-pyrrolo[3,2-c]pyridin-1-yl]ethanoic acid Openeye Name: 2-[2-methyl-3-(4-methylsulfonylphenyl)sulfanyl-pyrrolo[3,2-c]pyridin-1-yl]acetic acid CAS Name: 2-[2-methyl-3-[(4-methylsulfonylphenyl)thio]-1-pyrrolo[3,2-c]pyridinyl]acetic acid IUPAC Name: 2-[2-methyl-3-(4-methylsulfonylphenyl)sulfanylpyrrolo[3,2-c]pyridin-1-yl]acetic acid Traditional Name: 2-[3-[(4-mesylphenyl)thio]-2-methyl-pyrrolo[3,2-c]pyridin-1-yl]acetic acid Formula: C17H16N2O4S2 MolecularWeight: 376.44994

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N2O4S2/c1-11-17(24-12-3-5-13(6-4-12)25(2,22)23)14-9-18-8-7-15(14)19(11)10-16(20)21/h3-9H,10H2,1-2H3,(H,20,21)