methyl (Z)-3-[6-ethoxy-4-(2-phenylethynyl)-2-thiophen-2-yl-pyridin-3-yl]prop-2-enoate

Systemtic Name: methyl (Z)-3-[6-ethoxy-4-(2-phenylethynyl)-2-thiophen-2-yl-pyridin-3-yl]prop-2-enoate Openeye Name: methyl (Z)-3-[6-ethoxy-4-(2-phenylethynyl)-2-(2-thienyl)-3-pyridyl]prop-2-enoate CAS Name: (Z)-3-[6-ethoxy-4-(2-phenylethynyl)-2-thiophen-2-yl-3-pyridinyl]-2-propenoic acid methyl ester IUPAC Name: methyl (Z)-3-[6-ethoxy-4-(2-phenylethynyl)-2-thiophen-2-ylpyridin-3-yl]prop-2-enoate Traditional Name: (Z)-3-[6-ethoxy-4-(2-phenylethynyl)-2-(2-thienyl)-3-pyridyl]acrylic acid methyl ester Formula: C23H19NO3S MolecularWeight: 389.46686

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=NC(=C(C(=C1)C#CC2=CC=CC=C2)C=CC(=O)OC)C3=CC=CS3

Isomeric SMILES

CCOC1=NC(=C(C(=C1)C#CC2=CC=CC=C2)/C=C\C(=O)OC)C3=CC=CS3

InChI

InChI=1S/C23H19NO3S/c1-3-27-21-16-18(12-11-17-8-5-4-6-9-17)19(13-14-22(25)26-2)23(24-21)20-10-7-15-28-20/h4-10,13-16H,3H2,1-2H3/b14-13-