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

Systemtic Name: methyl (Z)-3-(3-chloranyl-5-ethoxy-4-oxidanyl-phenyl)-2-(4-oxidanylidene-2-sulfanylidene-1H-pyrimidin-6-yl)prop-2-enoate Openeye Name: methyl (Z)-3-(3-chloro-5-ethoxy-4-hydroxy-phenyl)-2-(4-oxo-2-thioxo-1H-pyrimidin-6-yl)prop-2-enoate CAS Name: (Z)-3-(3-chloro-5-ethoxy-4-hydroxyphenyl)-2-(4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl)-2-propenoic acid methyl ester IUPAC Name: methyl (Z)-3-(3-chloro-5-ethoxy-4-hydroxyphenyl)-2-(4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl)prop-2-enoate Traditional Name: (Z)-3-(3-chloro-5-ethoxy-4-hydroxy-phenyl)-2-(4-keto-2-thioxo-1H-pyrimidin-6-yl)acrylic acid methyl ester Formula: C16H15ClN2O5S MolecularWeight: 382.8187

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=C(C2=CC(=O)NC(=S)N2)C(=O)OC)Cl)O

Isomeric SMILES

CCOC1=C(C(=CC(=C1)/C=C(/C2=CC(=O)NC(=S)N2)\C(=O)OC)Cl)O

InChI

InChI=1S/C16H15ClN2O5S/c1-3-24-12-6-8(5-10(17)14(12)21)4-9(15(22)23-2)11-7-13(20)19-16(25)18-11/h4-7,21H,3H2,1-2H3,(H2,18,19,20,25)/b9-4-