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

Systemtic Name: ethyl 6-[5-methoxy-2-[(E)-3-oxidanylidene-3-thiophen-3-yl-prop-1-enyl]pyridin-4-yl]oxyhexanoate hydrochloride Openeye Name: ethyl 6-[[5-methoxy-2-[(E)-3-oxo-3-(3-thienyl)prop-1-enyl]-4-pyridyl]oxy]hexanoate hydrochloride CAS Name: 6-[[5-methoxy-2-[(E)-3-oxo-3-(3-thiophenyl)prop-1-enyl]-4-pyridinyl]oxy]hexanoic acid ethyl ester hydrochloride IUPAC Name: ethyl 6-[5-methoxy-2-[(E)-3-oxo-3-thiophen-3-ylprop-1-enyl]pyridin-4-yl]oxyhexanoate hydrochloride Traditional Name: 6-[[2-[(E)-3-keto-3-(3-thienyl)prop-1-enyl]-5-methoxy-4-pyridyl]oxy]hexanoic acid ethyl ester hydrochloride Formula: C21H26ClNO5S MolecularWeight: 439.95284

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO5S.ClH/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;1H/b9-8+;