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

Systemtic Name: methyl 4-(2-ethoxyphenyl)-6-ethyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: methyl 4-(2-ethoxyphenyl)-6-ethyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-(2-ethoxyphenyl)-6-ethyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 4-(2-ethoxyphenyl)-6-ethyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-ethyl-4-o-phenetyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester Formula: C16H20N2O3S MolecularWeight: 320.4066

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(NC(=S)N1)C2=CC=CC=C2OCC)C(=O)OC

Isomeric SMILES

CCC1=C(C(NC(=S)N1)C2=CC=CC=C2OCC)C(=O)OC

InChI

InChI=1S/C16H20N2O3S/c1-4-11-13(15(19)20-3)14(18-16(22)17-11)10-8-6-7-9-12(10)21-5-2/h6-9,14H,4-5H2,1-3H3,(H2,17,18,22)