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

Systemtic Name: ethyl (6S)-3,4-dimethyl-6-[3-(pentanoylamino)phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl (6S)-3,4-dimethyl-6-[3-(pentanoylamino)phenyl]-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6S)-3,4-dimethyl-6-[3-(1-oxopentylamino)phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (6S)-3,4-dimethyl-6-[3-(pentanoylamino)phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6S)-3,4-dimethyl-2-thioxo-6-[3-(valerylamino)phenyl]-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C20H27N3O3S MolecularWeight: 389.51168

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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