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

Systemtic Name: methyl (Z)-3-(3-bromanyl-4-methoxy-phenyl)-2-(4-oxidanylidene-2-sulfanylidene-1H-pyrimidin-6-yl)prop-2-enoate Openeye Name: methyl (Z)-3-(3-bromo-4-methoxy-phenyl)-2-(4-oxo-2-thioxo-1H-pyrimidin-6-yl)prop-2-enoate CAS Name: (Z)-3-(3-bromo-4-methoxyphenyl)-2-(4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl)-2-propenoic acid methyl ester IUPAC Name: methyl (Z)-3-(3-bromo-4-methoxyphenyl)-2-(4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl)prop-2-enoate Traditional Name: (Z)-3-(3-bromo-4-methoxy-phenyl)-2-(4-keto-2-thioxo-1H-pyrimidin-6-yl)acrylic acid methyl ester Formula: C15H13BrN2O4S MolecularWeight: 397.24372

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=C(C2=CC(=O)NC(=S)N2)C(=O)OC)Br

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C(/C2=CC(=O)NC(=S)N2)\C(=O)OC)Br

InChI

InChI=1S/C15H13BrN2O4S/c1-21-12-4-3-8(6-10(12)16)5-9(14(20)22-2)11-7-13(19)18-15(23)17-11/h3-7H,1-2H3,(H2,17,18,19,23)/b9-5-