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

Systemtic Name: methyl (Z)-3-(4-hexoxyphenyl)-2-(4-oxidanylidene-2-sulfanylidene-1H-pyrimidin-6-yl)prop-2-enoate Openeye Name: methyl (Z)-3-(4-hexoxyphenyl)-2-(4-oxo-2-thioxo-1H-pyrimidin-6-yl)prop-2-enoate CAS Name: (Z)-3-(4-hexoxyphenyl)-2-(4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl)-2-propenoic acid methyl ester IUPAC Name: methyl (Z)-3-(4-hexoxyphenyl)-2-(4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl)prop-2-enoate Traditional Name: (Z)-3-(4-hexoxyphenyl)-2-(4-keto-2-thioxo-1H-pyrimidin-6-yl)acrylic acid methyl ester Formula: C20H24N2O4S MolecularWeight: 388.48056

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C=C(C2=CC(=O)NC(=S)N2)C(=O)OC

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)/C=C(/C2=CC(=O)NC(=S)N2)\C(=O)OC

InChI

InChI=1S/C20H24N2O4S/c1-3-4-5-6-11-26-15-9-7-14(8-10-15)12-16(19(24)25-2)17-13-18(23)22-20(27)21-17/h7-10,12-13H,3-6,11H2,1-2H3,(H2,21,22,23,27)/b16-12-