methyl 4-[2-oxidanylidene-5-thiophen-2-ylcarbonyl-6-(trifluoromethyl)-3,4-dihydro-1H-pyrimidin-4-yl]benzoate

Systemtic Name: methyl 4-[2-oxidanylidene-5-thiophen-2-ylcarbonyl-6-(trifluoromethyl)-3,4-dihydro-1H-pyrimidin-4-yl]benzoate Openeye Name: methyl 4-[2-oxo-5-(thiophene-2-carbonyl)-6-(trifluoromethyl)-3,4-dihydro-1H-pyrimidin-4-yl]benzoate CAS Name: 4-[2-oxo-5-[oxo(thiophen-2-yl)methyl]-6-(trifluoromethyl)-3,4-dihydro-1H-pyrimidin-4-yl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-oxo-5-(thiophene-2-carbonyl)-6-(trifluoromethyl)-3,4-dihydro-1H-pyrimidin-4-yl]benzoate Traditional Name: 4-[2-keto-5-(2-thenoyl)-6-(trifluoromethyl)-3,4-dihydro-1H-pyrimidin-4-yl]benzoic acid methyl ester Formula: C18H13F3N2O4S MolecularWeight: 410.36703

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C2C(=C(NC(=O)N2)C(F)(F)F)C(=O)C3=CC=CS3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C2C(=C(NC(=O)N2)C(F)(F)F)C(=O)C3=CC=CS3

InChI

InChI=1S/C18H13F3N2O4S/c1-27-16(25)10-6-4-9(5-7-10)13-12(14(24)11-3-2-8-28-11)15(18(19,20)21)23-17(26)22-13/h2-8,13H,1H3,(H2,22,23,26)