tert-butyl (4S)-4-(4-hexoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: tert-butyl (4S)-4-(4-hexoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: tert-butyl (4S)-4-(4-hexoxyphenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-4-(4-hexoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (4S)-4-(4-hexoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-4-(4-hexoxyphenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid tert-butyl ester Formula: C22H32N2O3S MolecularWeight: 404.56608

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C2C(=C(NC(=S)N2)C)C(=O)OC(C)(C)C

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)[C@H]2C(=C(NC(=S)N2)C)C(=O)OC(C)(C)C

InChI

InChI=1S/C22H32N2O3S/c1-6-7-8-9-14-26-17-12-10-16(11-13-17)19-18(15(2)23-21(28)24-19)20(25)27-22(3,4)5/h10-13,19H,6-9,14H2,1-5H3,(H2,23,24,28)/t19-/m0/s1