methyl (Z)-3-(4-butoxy-3-ethoxy-phenyl)-2-(4-oxidanylidene-2-sulfanylidene-1H-pyrimidin-6-yl)prop-2-enoate

Systemtic Name: methyl (Z)-3-(4-butoxy-3-ethoxy-phenyl)-2-(4-oxidanylidene-2-sulfanylidene-1H-pyrimidin-6-yl)prop-2-enoate Openeye Name: methyl (Z)-3-(4-butoxy-3-ethoxy-phenyl)-2-(4-oxo-2-thioxo-1H-pyrimidin-6-yl)prop-2-enoate CAS Name: (Z)-3-(4-butoxy-3-ethoxyphenyl)-2-(4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl)-2-propenoic acid methyl ester IUPAC Name: methyl (Z)-3-(4-butoxy-3-ethoxyphenyl)-2-(4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl)prop-2-enoate Traditional Name: (Z)-3-(4-butoxy-3-ethoxy-phenyl)-2-(4-keto-2-thioxo-1H-pyrimidin-6-yl)acrylic acid methyl ester Formula: C20H24N2O5S MolecularWeight: 404.47996

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C=C(C2=CC(=O)NC(=S)N2)C(=O)OC)OCC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)/C=C(/C2=CC(=O)NC(=S)N2)\C(=O)OC)OCC

InChI

InChI=1S/C20H24N2O5S/c1-4-6-9-27-16-8-7-13(11-17(16)26-5-2)10-14(19(24)25-3)15-12-18(23)22-20(28)21-15/h7-8,10-12H,4-6,9H2,1-3H3,(H2,21,22,23,28)/b14-10-