4-[3-(4-dimethylaminophenyl)prop-1-ynyl]-3-methoxy-4-oxidanyl-2-(2-pyridin-2-ylsulfanylethyl)cyclobut-2-en-1-one

Systemtic Name: 4-[3-(4-dimethylaminophenyl)prop-1-ynyl]-3-methoxy-4-oxidanyl-2-(2-pyridin-2-ylsulfanylethyl)cyclobut-2-en-1-one Openeye Name: 4-[3-(4-dimethylaminophenyl)prop-1-ynyl]-4-hydroxy-3-methoxy-2-[2-(2-pyridylsulfanyl)ethyl]cyclobut-2-en-1-one CAS Name: 4-[3-(4-dimethylaminophenyl)prop-1-ynyl]-4-hydroxy-3-methoxy-2-[2-(2-pyridinylthio)ethyl]-1-cyclobut-2-enone IUPAC Name: 4-[3-(4-dimethylaminophenyl)prop-1-ynyl]-4-hydroxy-3-methoxy-2-(2-pyridin-2-ylsulfanylethyl)cyclobut-2-en-1-one Traditional Name: 4-[3-(4-dimethylaminophenyl)prop-1-ynyl]-4-hydroxy-3-methoxy-2-[2-(2-pyridylthio)ethyl]cyclobut-2-en-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#CC2(C(=C(C2=O)CCSC3=CC=CC=N3)OC)O

Isomeric SMILES

CN(C)C1=CC=C(C=C1)CC#CC2(C(=C(C2=O)CCSC3=CC=CC=N3)OC)O

InChI

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