ethyl (6R)-6-(4-acetamidophenyl)-3-ethyl-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: ethyl (6R)-6-(4-acetamidophenyl)-3-ethyl-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl (6R)-6-(4-acetamidophenyl)-3-ethyl-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6R)-6-(4-acetamidophenyl)-3-ethyl-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (6R)-6-(4-acetamidophenyl)-3-ethyl-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6R)-6-(4-acetamidophenyl)-3-ethyl-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C18H23N3O3S MolecularWeight: 361.45852

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(NC1=S)C2=CC=C(C=C2)NC(=O)C)C(=O)OCC)C

Isomeric SMILES

CCN1C(=C([C@H](NC1=S)C2=CC=C(C=C2)NC(=O)C)C(=O)OCC)C

InChI

InChI=1S/C18H23N3O3S/c1-5-21-11(3)15(17(23)24-6-2)16(20-18(21)25)13-7-9-14(10-8-13)19-12(4)22/h7-10,16H,5-6H2,1-4H3,(H,19,22)(H,20,25)/t16-/m1/s1