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

Systemtic Name: phenethyl 4-(2-ethoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: phenethyl 4-(2-ethoxyphenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-(2-ethoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid phenethyl ester IUPAC Name: phenethyl 4-(2-ethoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-methyl-4-o-phenetyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid phenethyl ester Formula: C22H24N2O3S MolecularWeight: 396.50256

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C2C(=C(NC(=S)N2)C)C(=O)OCCC3=CC=CC=C3

Isomeric SMILES

CCOC1=CC=CC=C1C2C(=C(NC(=S)N2)C)C(=O)OCCC3=CC=CC=C3

InChI

InChI=1S/C22H24N2O3S/c1-3-26-18-12-8-7-11-17(18)20-19(15(2)23-22(28)24-20)21(25)27-14-13-16-9-5-4-6-10-16/h4-12,20H,3,13-14H2,1-2H3,(H2,23,24,28)