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

Systemtic Name: ethyl 4-[3-ethoxy-4-(2-methylpropoxy)phenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 4-(3-ethoxy-4-isobutoxy-phenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-[3-ethoxy-4-(2-methylpropoxy)phenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-ethoxy-4-(2-methylpropoxy)phenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-(3-ethoxy-4-isobutoxy-phenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C20H28N2O4S MolecularWeight: 392.51232

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C2C(=C(NC(=S)N2)C)C(=O)OCC)OCC(C)C

Isomeric SMILES

CCOC1=C(C=CC(=C1)C2C(=C(NC(=S)N2)C)C(=O)OCC)OCC(C)C

InChI

InChI=1S/C20H28N2O4S/c1-6-24-16-10-14(8-9-15(16)26-11-12(3)4)18-17(19(23)25-7-2)13(5)21-20(27)22-18/h8-10,12,18H,6-7,11H2,1-5H3,(H2,21,22,27)