methyl (Z)-3-(3-chloranyl-5-methoxy-4-prop-2-ynoxy-phenyl)-2-(4-oxidanylidene-2-sulfanylidene-1H-pyrimidin-6-yl)prop-2-enoate

Systemtic Name: methyl (Z)-3-(3-chloranyl-5-methoxy-4-prop-2-ynoxy-phenyl)-2-(4-oxidanylidene-2-sulfanylidene-1H-pyrimidin-6-yl)prop-2-enoate Openeye Name: methyl (Z)-3-(3-chloro-5-methoxy-4-prop-2-ynoxy-phenyl)-2-(4-oxo-2-thioxo-1H-pyrimidin-6-yl)prop-2-enoate CAS Name: (Z)-3-(3-chloro-5-methoxy-4-prop-2-ynoxyphenyl)-2-(4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl)-2-propenoic acid methyl ester IUPAC Name: methyl (Z)-3-(3-chloro-5-methoxy-4-prop-2-ynoxyphenyl)-2-(4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl)prop-2-enoate Traditional Name: (Z)-3-(3-chloro-5-methoxy-4-propargyloxy-phenyl)-2-(4-keto-2-thioxo-1H-pyrimidin-6-yl)acrylic acid methyl ester Formula: C18H15ClN2O5S MolecularWeight: 406.8401

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=C(C2=CC(=O)NC(=S)N2)C(=O)OC)Cl)OCC#C

Isomeric SMILES

COC1=C(C(=CC(=C1)/C=C(/C2=CC(=O)NC(=S)N2)\C(=O)OC)Cl)OCC#C

InChI

InChI=1S/C18H15ClN2O5S/c1-4-5-26-16-12(19)7-10(8-14(16)24-2)6-11(17(23)25-3)13-9-15(22)21-18(27)20-13/h1,6-9H,5H2,2-3H3,(H2,20,21,22,27)/b11-6-