(Z)-2-(3,4-dimethoxyphenyl)-5-methylsulfanyl-3-pyridin-3-yl-pent-2-enoic acid

Systemtic Name: (Z)-2-(3,4-dimethoxyphenyl)-5-methylsulfanyl-3-pyridin-3-yl-pent-2-enoic acid Openeye Name: (Z)-2-(3,4-dimethoxyphenyl)-5-methylsulfanyl-3-(3-pyridyl)pent-2-enoic acid CAS Name: (Z)-2-(3,4-dimethoxyphenyl)-5-(methylthio)-3-(3-pyridinyl)-2-pentenoic acid IUPAC Name: (Z)-2-(3,4-dimethoxyphenyl)-5-methylsulfanyl-3-pyridin-3-ylpent-2-enoic acid Traditional Name: (Z)-2-(3,4-dimethoxyphenyl)-5-(methylthio)-3-(3-pyridyl)pent-2-enoic acid Formula: C19H21NO4S MolecularWeight: 359.43934

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=C(CCSC)C2=CN=CC=C2)C(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)/C(=C(\CCSC)/C2=CN=CC=C2)/C(=O)O)OC

InChI

InChI=1S/C19H21NO4S/c1-23-16-7-6-13(11-17(16)24-2)18(19(21)22)15(8-10-25-3)14-5-4-9-20-12-14/h4-7,9,11-12H,8,10H2,1-3H3,(H,21,22)/b18-15-