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

Systemtic Name: ethyl 4-(2-pentoxyphenyl)-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 4-(2-pentoxyphenyl)-6-phenyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-(2-pentoxyphenyl)-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(2-pentoxyphenyl)-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-(2-amoxyphenyl)-6-phenyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C24H28N2O3S MolecularWeight: 424.55572

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=CC=C1C2C(=C(NC(=S)N2)C3=CC=CC=C3)C(=O)OCC

Isomeric SMILES

CCCCCOC1=CC=CC=C1C2C(=C(NC(=S)N2)C3=CC=CC=C3)C(=O)OCC

InChI

InChI=1S/C24H28N2O3S/c1-3-5-11-16-29-19-15-10-9-14-18(19)22-20(23(27)28-4-2)21(25-24(30)26-22)17-12-7-6-8-13-17/h6-10,12-15,22H,3-5,11,16H2,1-2H3,(H2,25,26,30)