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

Systemtic Name: propan-2-yl (6S)-3-ethyl-4-methyl-6-[3-(propanoylamino)phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: isopropyl (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 propan-2-yl ester IUPAC Name: propan-2-yl (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 isopropyl ester Formula: C20H27N3O3S MolecularWeight: 389.51168

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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)OC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C20H27N3O3S/c1-6-16(24)21-15-10-8-9-14(11-15)18-17(19(25)26-12(3)4)13(5)23(7-2)20(27)22-18/h8-12,18H,6-7H2,1-5H3,(H,21,24)(H,22,27)/t18-/m0/s1