3-[6-methyl-2-[(3-methylpyridin-2-yl)methylsulfinyl]-1H-benzimidazol-5-yl]prop-2-ynoic acid

Systemtic Name: 3-[6-methyl-2-[(3-methylpyridin-2-yl)methylsulfinyl]-1H-benzimidazol-5-yl]prop-2-ynoic acid Openeye Name: 3-[6-methyl-2-[(3-methyl-2-pyridyl)methylsulfinyl]-1H-benzimidazol-5-yl]prop-2-ynoic acid CAS Name: 3-[6-methyl-2-[(3-methyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazol-5-yl]-2-propynoic acid IUPAC Name: 3-[6-methyl-2-[(3-methylpyridin-2-yl)methylsulfinyl]-1H-benzimidazol-5-yl]prop-2-ynoic acid Traditional Name: 3-[6-methyl-2-[(3-methyl-2-pyridyl)methylsulfinyl]-1H-benzimidazol-5-yl]propiolic acid Formula: C18H15N3O3S MolecularWeight: 353.395

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CC=C1)CS(=O)C2=NC3=C(N2)C=C(C(=C3)C#CC(=O)O)C

Isomeric SMILES

CC1=C(N=CC=C1)CS(=O)C2=NC3=C(N2)C=C(C(=C3)C#CC(=O)O)C

InChI

InChI=1S/C18H15N3O3S/c1-11-4-3-7-19-16(11)10-25(24)18-20-14-8-12(2)13(5-6-17(22)23)9-15(14)21-18/h3-4,7-9H,10H2,1-2H3,(H,20,21)(H,22,23)