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

Systemtic Name: 2-methylpropyl (6S)-3,4-dimethyl-6-[4-(propanoylamino)phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: isobutyl (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-methylpropyl ester IUPAC Name: 2-methylpropyl (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 isobutyl ester Formula: C20H27N3O3S MolecularWeight: 389.51168

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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)OCC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C20H27N3O3S/c1-6-16(24)21-15-9-7-14(8-10-15)18-17(19(25)26-11-12(2)3)13(4)23(5)20(27)22-18/h7-10,12,18H,6,11H2,1-5H3,(H,21,24)(H,22,27)/t18-/m0/s1