methyl 3-[[6-[(E)-3-methoxy-3-oxidanylidene-prop-1-enyl]-5-(4-phenylbutoxy)pyridin-2-yl]methylsulfanylmethyl]benzoate

Systemtic Name: methyl 3-[[6-[(E)-3-methoxy-3-oxidanylidene-prop-1-enyl]-5-(4-phenylbutoxy)pyridin-2-yl]methylsulfanylmethyl]benzoate Openeye Name: methyl 3-[[6-[(E)-3-methoxy-3-oxo-prop-1-enyl]-5-(4-phenylbutoxy)-2-pyridyl]methylsulfanylmethyl]benzoate CAS Name: 3-[[[6-[(E)-3-methoxy-3-oxoprop-1-enyl]-5-(4-phenylbutoxy)-2-pyridinyl]methylthio]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[6-[(E)-3-methoxy-3-oxoprop-1-enyl]-5-(4-phenylbutoxy)pyridin-2-yl]methylsulfanylmethyl]benzoate Traditional Name: 3-[[[6-[(E)-3-keto-3-methoxy-prop-1-enyl]-5-(4-phenylbutoxy)-2-pyridyl]methylthio]methyl]benzoic acid methyl ester Formula: C29H31NO5S MolecularWeight: 505.62514

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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)OCCCCC3=CC=CC=C3

Isomeric SMILES

COC(=O)/C=C/C1=C(C=CC(=N1)CSCC2=CC=CC(=C2)C(=O)OC)OCCCCC3=CC=CC=C3

InChI

InChI=1S/C29H31NO5S/c1-33-28(31)17-15-26-27(35-18-7-6-11-22-9-4-3-5-10-22)16-14-25(30-26)21-36-20-23-12-8-13-24(19-23)29(32)34-2/h3-5,8-10,12-17,19H,6-7,11,18,20-21H2,1-2H3/b17-15+