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

Systemtic Name: 2-methoxyethyl (6S)-3,4-dimethyl-6-[4-(propanoylamino)phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: 2-methoxyethyl (6S)-3,4-dimethyl-6-[4-(propanoylamino)phenyl]-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6S)-3,4-dimethyl-6-[4-(1-oxopropylamino)phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl (6S)-3,4-dimethyl-6-[4-(propanoylamino)phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6S)-3,4-dimethyl-6-(4-propionamidophenyl)-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid 2-methoxyethyl ester Formula: C19H25N3O4S MolecularWeight: 391.4845

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25N3O4S/c1-5-15(23)20-14-8-6-13(7-9-14)17-16(18(24)26-11-10-25-4)12(2)22(3)19(27)21-17/h6-9,17H,5,10-11H2,1-4H3,(H,20,23)(H,21,27)/t17-/m0/s1