5-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]thiophene-2-carboxylic acid

Systemtic Name: 5-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]thiophene-2-carboxylic acid Openeye Name: 5-[(E)-[6-(3-pyridyl)-3,4-dihydro-2H-pyridin-5-ylidene]methyl]thiophene-2-carboxylic acid CAS Name: 5-[(E)-[6-(3-pyridinyl)-3,4-dihydro-2H-pyridin-5-ylidene]methyl]-2-thiophenecarboxylic acid IUPAC Name: 5-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]thiophene-2-carboxylic acid Traditional Name: 5-[(E)-[6-(3-pyridyl)-3,4-dihydro-2H-pyridin-5-ylidene]methyl]-2-thenoic acid Formula: C16H14N2O2S MolecularWeight: 298.35956

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=CC2=CC=C(S2)C(=O)O)C(=NC1)C3=CN=CC=C3

Isomeric SMILES

C1C/C(=C\C2=CC=C(S2)C(=O)O)/C(=NC1)C3=CN=CC=C3

InChI

InChI=1S/C16H14N2O2S/c19-16(20)14-6-5-13(21-14)9-11-3-2-8-18-15(11)12-4-1-7-17-10-12/h1,4-7,9-10H,2-3,8H2,(H,19,20)/b11-9+