methyl 3-[[6-[(E)-3-methoxy-3-oxidanylidene-prop-1-enyl]-5-(8-phenyloctoxy)pyridin-2-yl]methylsulfanylmethyl]benzoate

Systemtic Name: methyl 3-[[6-[(E)-3-methoxy-3-oxidanylidene-prop-1-enyl]-5-(8-phenyloctoxy)pyridin-2-yl]methylsulfanylmethyl]benzoate Openeye Name: methyl 3-[[6-[(E)-3-methoxy-3-oxo-prop-1-enyl]-5-(8-phenyloctoxy)-2-pyridyl]methylsulfanylmethyl]benzoate CAS Name: 3-[[[6-[(E)-3-methoxy-3-oxoprop-1-enyl]-5-(8-phenyloctoxy)-2-pyridinyl]methylthio]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[6-[(E)-3-methoxy-3-oxoprop-1-enyl]-5-(8-phenyloctoxy)pyridin-2-yl]methylsulfanylmethyl]benzoate Traditional Name: 3-[[[6-[(E)-3-keto-3-methoxy-prop-1-enyl]-5-(8-phenyloctoxy)-2-pyridyl]methylthio]methyl]benzoic acid methyl ester Formula: C33H39NO5S MolecularWeight: 561.73146

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=CC1=C(C=CC(=N1)CSCC2=CC=CC(=C2)C(=O)OC)OCCCCCCCCC3=CC=CC=C3

Isomeric SMILES

COC(=O)/C=C/C1=C(C=CC(=N1)CSCC2=CC=CC(=C2)C(=O)OC)OCCCCCCCCC3=CC=CC=C3

InChI

InChI=1S/C33H39NO5S/c1-37-32(35)21-19-30-31(39-22-11-6-4-3-5-8-13-26-14-9-7-10-15-26)20-18-29(34-30)25-40-24-27-16-12-17-28(23-27)33(36)38-2/h7,9-10,12,14-21,23H,3-6,8,11,13,22,24-25H2,1-2H3/b21-19+