ethyl 6-(3-chlorophenyl)-3-(3-ethoxypropyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: ethyl 6-(3-chlorophenyl)-3-(3-ethoxypropyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 6-(3-chlorophenyl)-3-(3-ethoxypropyl)-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 6-(3-chlorophenyl)-3-(3-ethoxypropyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-(3-chlorophenyl)-3-(3-ethoxypropyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 6-(3-chlorophenyl)-3-(3-ethoxypropyl)-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C19H25ClN2O3S MolecularWeight: 396.9314

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCN1C(=C(C(NC1=S)C2=CC(=CC=C2)Cl)C(=O)OCC)C

Isomeric SMILES

CCOCCCN1C(=C(C(NC1=S)C2=CC(=CC=C2)Cl)C(=O)OCC)C

InChI

InChI=1S/C19H25ClN2O3S/c1-4-24-11-7-10-22-13(3)16(18(23)25-5-2)17(21-19(22)26)14-8-6-9-15(20)12-14/h6,8-9,12,17H,4-5,7,10-11H2,1-3H3,(H,21,26)