methyl 2-[4-oxidanylidene-3-[4-(2-propylhexoxy)phenyl]-5-thiophen-2-yl-pyridin-1-yl]ethanoate

Systemtic Name: methyl 2-[4-oxidanylidene-3-[4-(2-propylhexoxy)phenyl]-5-thiophen-2-yl-pyridin-1-yl]ethanoate Openeye Name: methyl 2-[4-oxo-3-[4-(2-propylhexoxy)phenyl]-5-(2-thienyl)-1-pyridyl]acetate CAS Name: 2-[4-oxo-3-[4-(2-propylhexoxy)phenyl]-5-thiophen-2-yl-1-pyridinyl]acetic acid methyl ester IUPAC Name: methyl 2-[4-oxo-3-[4-(2-propylhexoxy)phenyl]-5-thiophen-2-ylpyridin-1-yl]acetate Traditional Name: 2-[4-keto-3-[4-(2-propylhexoxy)phenyl]-5-(2-thienyl)-1-pyridyl]acetic acid methyl ester Formula: C27H33NO4S MolecularWeight: 467.62022

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CCC)COC1=CC=C(C=C1)C2=CN(C=C(C2=O)C3=CC=CS3)CC(=O)OC

Isomeric SMILES

CCCCC(CCC)COC1=CC=C(C=C1)C2=CN(C=C(C2=O)C3=CC=CS3)CC(=O)OC

InChI

InChI=1S/C27H33NO4S/c1-4-6-9-20(8-5-2)19-32-22-13-11-21(12-14-22)23-16-28(18-26(29)31-3)17-24(27(23)30)25-10-7-15-33-25/h7,10-17,20H,4-6,8-9,18-19H2,1-3H3