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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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