methyl 4-[4-(2-ethoxy-2-oxidanylidene-ethoxy)-3-methoxy-phenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: methyl 4-[4-(2-ethoxy-2-oxidanylidene-ethoxy)-3-methoxy-phenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: methyl 4-[4-(2-ethoxy-2-oxo-ethoxy)-3-methoxy-phenyl]-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-[4-(2-ethoxy-2-oxoethoxy)-3-methoxyphenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 4-[4-(2-ethoxy-2-oxoethoxy)-3-methoxyphenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-[4-(2-ethoxy-2-keto-ethoxy)-3-methoxy-phenyl]-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester Formula: C18H22N2O6S MolecularWeight: 394.44208

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)COC1=C(C=C(C=C1)C2C(=C(NC(=S)N2)C)C(=O)OC)OC

Isomeric SMILES

CCOC(=O)COC1=C(C=C(C=C1)C2C(=C(NC(=S)N2)C)C(=O)OC)OC

InChI

InChI=1S/C18H22N2O6S/c1-5-25-14(21)9-26-12-7-6-11(8-13(12)23-3)16-15(17(22)24-4)10(2)19-18(27)20-16/h6-8,16H,5,9H2,1-4H3,(H2,19,20,27)