ethyl 6-[5-methoxy-2-[(E)-3-oxidanylidene-3-thiophen-3-yl-prop-1-enyl]pyridin-4-yl]oxyhexanoate

Systemtic Name: ethyl 6-[5-methoxy-2-[(E)-3-oxidanylidene-3-thiophen-3-yl-prop-1-enyl]pyridin-4-yl]oxyhexanoate Openeye Name: ethyl 6-[[5-methoxy-2-[(E)-3-oxo-3-(3-thienyl)prop-1-enyl]-4-pyridyl]oxy]hexanoate CAS Name: 6-[[5-methoxy-2-[(E)-3-oxo-3-(3-thiophenyl)prop-1-enyl]-4-pyridinyl]oxy]hexanoic acid ethyl ester IUPAC Name: ethyl 6-[5-methoxy-2-[(E)-3-oxo-3-thiophen-3-ylprop-1-enyl]pyridin-4-yl]oxyhexanoate Traditional Name: 6-[[2-[(E)-3-keto-3-(3-thienyl)prop-1-enyl]-5-methoxy-4-pyridyl]oxy]hexanoic acid ethyl ester Formula: C21H25NO5S MolecularWeight: 403.4919

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCCOC1=CC(=NC=C1OC)C=CC(=O)C2=CSC=C2

Isomeric SMILES

CCOC(=O)CCCCCOC1=CC(=NC=C1OC)/C=C/C(=O)C2=CSC=C2

InChI

InChI=1S/C21H25NO5S/c1-3-26-21(24)7-5-4-6-11-27-19-13-17(22-14-20(19)25-2)8-9-18(23)16-10-12-28-15-16/h8-10,12-15H,3-7,11H2,1-2H3/b9-8+