methyl 4-(6-chloranyl-1,3-benzodioxol-5-yl)-6-(4-fluorophenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: methyl 4-(6-chloranyl-1,3-benzodioxol-5-yl)-6-(4-fluorophenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: methyl 4-(6-chloro-1,3-benzodioxol-5-yl)-6-(4-fluorophenyl)-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-(6-chloro-1,3-benzodioxol-5-yl)-6-(4-fluorophenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 4-(6-chloro-1,3-benzodioxol-5-yl)-6-(4-fluorophenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-(6-chloro-1,3-benzodioxol-5-yl)-6-(4-fluorophenyl)-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester Formula: C19H14ClFN2O4S MolecularWeight: 420.841863

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(NC(=S)NC1C2=CC3=C(C=C2Cl)OCO3)C4=CC=C(C=C4)F

Isomeric SMILES

COC(=O)C1=C(NC(=S)NC1C2=CC3=C(C=C2Cl)OCO3)C4=CC=C(C=C4)F

InChI

InChI=1S/C19H14ClFN2O4S/c1-25-18(24)15-16(9-2-4-10(21)5-3-9)22-19(28)23-17(15)11-6-13-14(7-12(11)20)27-8-26-13/h2-7,17H,8H2,1H3,(H2,22,23,28)