2-[3-cyano-6-cyclopropyl-4-(4-methoxyphenyl)pyridin-2-yl]sulfanylethanoic acid

Systemtic Name: 2-[3-cyano-6-cyclopropyl-4-(4-methoxyphenyl)pyridin-2-yl]sulfanylethanoic acid Openeye Name: 2-[[3-cyano-6-cyclopropyl-4-(4-methoxyphenyl)-2-pyridyl]sulfanyl]acetic acid CAS Name: 2-[[3-cyano-6-cyclopropyl-4-(4-methoxyphenyl)-2-pyridinyl]thio]acetic acid IUPAC Name: 2-[3-cyano-6-cyclopropyl-4-(4-methoxyphenyl)pyridin-2-yl]sulfanylacetic acid Traditional Name: 2-[[3-cyano-6-cyclopropyl-4-(4-methoxyphenyl)-2-pyridyl]thio]acetic acid Formula: C18H16N2O3S MolecularWeight: 340.39624

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC(=NC(=C2C#N)SCC(=O)O)C3CC3

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC(=NC(=C2C#N)SCC(=O)O)C3CC3

InChI

InChI=1S/C18H16N2O3S/c1-23-13-6-4-11(5-7-13)14-8-16(12-2-3-12)20-18(15(14)9-19)24-10-17(21)22/h4-8,12H,2-3,10H2,1H3,(H,21,22)