ethyl 6-methyl-4-(2-pentoxyphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 6-methyl-4-(2-pentoxyphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 6-methyl-4-(2-pentoxyphenyl)-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-methyl-4-(2-pentoxyphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-methyl-4-(2-pentoxyphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-(2-amoxyphenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C19H26N2O3S MolecularWeight: 362.48634

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=CC=C1C2C(=C(NC(=S)N2)C)C(=O)OCC

Isomeric SMILES

CCCCCOC1=CC=CC=C1C2C(=C(NC(=S)N2)C)C(=O)OCC

InChI

InChI=1S/C19H26N2O3S/c1-4-6-9-12-24-15-11-8-7-10-14(15)17-16(18(22)23-5-2)13(3)20-19(25)21-17/h7-8,10-11,17H,4-6,9,12H2,1-3H3,(H2,20,21,25)