ethyl 4-[4-(3,4-dimethoxyphenyl)-6-thiophen-2-yl-pyridin-2-yl]sulfanyl-3-oxidanylidene-butanoate

Systemtic Name: ethyl 4-[4-(3,4-dimethoxyphenyl)-6-thiophen-2-yl-pyridin-2-yl]sulfanyl-3-oxidanylidene-butanoate Openeye Name: ethyl 4-[[4-(3,4-dimethoxyphenyl)-6-(2-thienyl)-2-pyridyl]sulfanyl]-3-oxo-butanoate CAS Name: 4-[[4-(3,4-dimethoxyphenyl)-6-thiophen-2-yl-2-pyridinyl]thio]-3-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[4-(3,4-dimethoxyphenyl)-6-thiophen-2-ylpyridin-2-yl]sulfanyl-3-oxobutanoate Traditional Name: 4-[[4-(3,4-dimethoxyphenyl)-6-(2-thienyl)-2-pyridyl]thio]-3-keto-butyric acid ethyl ester Formula: C23H23NO5S2 MolecularWeight: 457.56242

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(=O)CSC1=CC(=CC(=N1)C2=CC=CS2)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CCOC(=O)CC(=O)CSC1=CC(=CC(=N1)C2=CC=CS2)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C23H23NO5S2/c1-4-29-23(26)13-17(25)14-31-22-12-16(10-18(24-22)21-6-5-9-30-21)15-7-8-19(27-2)20(11-15)28-3/h5-12H,4,13-14H2,1-3H3