ethyl (6S)-3-ethyl-4-methyl-6-[3-(propanoylamino)phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: ethyl (6S)-3-ethyl-4-methyl-6-[3-(propanoylamino)phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl (6S)-3-ethyl-4-methyl-6-[3-(propanoylamino)phenyl]-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6S)-3-ethyl-4-methyl-6-[3-(1-oxopropylamino)phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (6S)-3-ethyl-4-methyl-6-[3-(propanoylamino)phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6S)-3-ethyl-4-methyl-6-(3-propionamidophenyl)-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C19H25N3O3S MolecularWeight: 375.4851

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC=CC(=C1)C2C(=C(N(C(=S)N2)CC)C)C(=O)OCC

Isomeric SMILES

CCC(=O)NC1=CC=CC(=C1)[C@H]2C(=C(N(C(=S)N2)CC)C)C(=O)OCC

InChI

InChI=1S/C19H25N3O3S/c1-5-15(23)20-14-10-8-9-13(11-14)17-16(18(24)25-7-3)12(4)22(6-2)19(26)21-17/h8-11,17H,5-7H2,1-4H3,(H,20,23)(H,21,26)/t17-/m0/s1