2-[2-[(4-methylpyridin-2-yl)sulfinylmethyl]-3H-benzimidazol-5-yl]ethanoic acid

Systemtic Name: 2-[2-[(4-methylpyridin-2-yl)sulfinylmethyl]-3H-benzimidazol-5-yl]ethanoic acid Openeye Name: 2-[2-[(4-methyl-2-pyridyl)sulfinylmethyl]-3H-benzimidazol-5-yl]acetic acid CAS Name: 2-[2-[(4-methyl-2-pyridinyl)sulfinylmethyl]-3H-benzimidazol-5-yl]acetic acid IUPAC Name: 2-[2-[(4-methylpyridin-2-yl)sulfinylmethyl]-3H-benzimidazol-5-yl]acetic acid Traditional Name: 2-[2-[(4-methyl-2-pyridyl)sulfinylmethyl]-3H-benzimidazol-5-yl]acetic acid Formula: C16H15N3O3S MolecularWeight: 329.3736

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC=C1)S(=O)CC2=NC3=C(N2)C=C(C=C3)CC(=O)O

Isomeric SMILES

CC1=CC(=NC=C1)S(=O)CC2=NC3=C(N2)C=C(C=C3)CC(=O)O

InChI

InChI=1S/C16H15N3O3S/c1-10-4-5-17-15(6-10)23(22)9-14-18-12-3-2-11(8-16(20)21)7-13(12)19-14/h2-7H,8-9H2,1H3,(H,18,19)(H,20,21)