2-[2,5-dimethyl-3-(4-methylsulfonylphenyl)sulfanyl-pyrrolo[3,2-b]pyridin-1-yl]ethanoic acid

Systemtic Name: 2-[2,5-dimethyl-3-(4-methylsulfonylphenyl)sulfanyl-pyrrolo[3,2-b]pyridin-1-yl]ethanoic acid Openeye Name: 2-[2,5-dimethyl-3-(4-methylsulfonylphenyl)sulfanyl-pyrrolo[3,2-b]pyridin-1-yl]acetic acid CAS Name: 2-[2,5-dimethyl-3-[(4-methylsulfonylphenyl)thio]-1-pyrrolo[3,2-b]pyridinyl]acetic acid IUPAC Name: 2-[2,5-dimethyl-3-(4-methylsulfonylphenyl)sulfanylpyrrolo[3,2-b]pyridin-1-yl]acetic acid Traditional Name: 2-[3-[(4-mesylphenyl)thio]-2,5-dimethyl-pyrrolo[3,2-b]pyridin-1-yl]acetic acid Formula: C18H18N2O4S2 MolecularWeight: 390.47652

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C1)N(C(=C2SC3=CC=C(C=C3)S(=O)(=O)C)C)CC(=O)O

Isomeric SMILES

CC1=NC2=C(C=C1)N(C(=C2SC3=CC=C(C=C3)S(=O)(=O)C)C)CC(=O)O

InChI

InChI=1S/C18H18N2O4S2/c1-11-4-9-15-17(19-11)18(12(2)20(15)10-16(21)22)25-13-5-7-14(8-6-13)26(3,23)24/h4-9H,10H2,1-3H3,(H,21,22)