(5E)-4-oxidanyl-5-(pyridin-2-ylmethylidene)-4-(3-thiophen-2-ylprop-2-ynyl)cyclopent-2-en-1-one

Systemtic Name: (5E)-4-oxidanyl-5-(pyridin-2-ylmethylidene)-4-(3-thiophen-2-ylprop-2-ynyl)cyclopent-2-en-1-one Openeye Name: (5E)-4-hydroxy-5-(2-pyridylmethylene)-4-[3-(2-thienyl)prop-2-ynyl]cyclopent-2-en-1-one CAS Name: (5E)-4-hydroxy-5-(2-pyridinylmethylidene)-4-(3-thiophen-2-ylprop-2-ynyl)-1-cyclopent-2-enone IUPAC Name: (5E)-4-hydroxy-5-(pyridin-2-ylmethylidene)-4-(3-thiophen-2-ylprop-2-ynyl)cyclopent-2-en-1-one Traditional Name: (5E)-4-hydroxy-5-(2-pyridylmethylene)-4-[3-(2-thienyl)prop-2-ynyl]cyclopent-2-en-1-one Formula: C18H13NO2S MolecularWeight: 307.36632

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)C=C2C(=O)C=CC2(CC#CC3=CC=CS3)O

Isomeric SMILES

C1=CC=NC(=C1)/C=C\2/C(=O)C=CC2(CC#CC3=CC=CS3)O

InChI

InChI=1S/C18H13NO2S/c20-17-8-10-18(21,9-3-6-15-7-4-12-22-15)16(17)13-14-5-1-2-11-19-14/h1-2,4-5,7-8,10-13,21H,9H2/b16-13-