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

Systemtic Name: methyl (Z)-3-(4-bromanylthiophen-2-yl)-2-(4-oxidanylidene-2-sulfanylidene-1H-pyrimidin-6-yl)prop-2-enoate Openeye Name: methyl (Z)-3-(4-bromo-2-thienyl)-2-(4-oxo-2-thioxo-1H-pyrimidin-6-yl)prop-2-enoate CAS Name: (Z)-3-(4-bromo-2-thiophenyl)-2-(4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl)-2-propenoic acid methyl ester IUPAC Name: methyl (Z)-3-(4-bromothiophen-2-yl)-2-(4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl)prop-2-enoate Traditional Name: (Z)-3-(4-bromo-2-thienyl)-2-(4-keto-2-thioxo-1H-pyrimidin-6-yl)acrylic acid methyl ester Formula: C12H9BrN2O3S2 MolecularWeight: 373.24546

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=CC1=CC(=CS1)Br)C2=CC(=O)NC(=S)N2

Isomeric SMILES

COC(=O)/C(=C\C1=CC(=CS1)Br)/C2=CC(=O)NC(=S)N2

InChI

InChI=1S/C12H9BrN2O3S2/c1-18-11(17)8(3-7-2-6(13)5-20-7)9-4-10(16)15-12(19)14-9/h2-5H,1H3,(H2,14,15,16,19)/b8-3-