(3Z)-7-(4-dimethylaminophenyl)-3-methoxy-4-oxidanyl-2-(2-pyridin-2-ylsulfanylethyl)hepta-1,3-dien-5-yn-1-one

Systemtic Name: (3Z)-7-(4-dimethylaminophenyl)-3-methoxy-4-oxidanyl-2-(2-pyridin-2-ylsulfanylethyl)hepta-1,3-dien-5-yn-1-one Openeye Name: (3Z)-7-(4-dimethylaminophenyl)-4-hydroxy-3-methoxy-2-[2-(2-pyridylsulfanyl)ethyl]hepta-1,3-dien-5-yn-1-one CAS Name: (3Z)-7-(4-dimethylaminophenyl)-4-hydroxy-3-methoxy-2-[2-(2-pyridinylthio)ethyl]-1-hepta-1,3-dien-5-ynone IUPAC Name: (3Z)-7-(4-dimethylaminophenyl)-4-hydroxy-3-methoxy-2-(2-pyridin-2-ylsulfanylethyl)hepta-1,3-dien-5-yn-1-one Traditional Name: (3Z)-7-(4-dimethylaminophenyl)-4-hydroxy-3-methoxy-2-[2-(2-pyridylthio)ethyl]hepta-1,3-dien-5-yn-1-one Formula: C23H24N2O3S MolecularWeight: 408.51326

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)CC#CC(=C(C(=C=O)CCSC2=CC=CC=N2)OC)O

Isomeric SMILES

CN(C)C1=CC=C(C=C1)CC#C/C(=C(\C(=C=O)CCSC2=CC=CC=N2)/OC)/O

InChI

InChI=1S/C23H24N2O3S/c1-25(2)20-12-10-18(11-13-20)7-6-8-21(27)23(28-3)19(17-26)14-16-29-22-9-4-5-15-24-22/h4-5,9-13,15,27H,7,14,16H2,1-3H3/b23-21-