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

Systemtic Name: tert-butyl (4S)-4-(2,4-dipropoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: tert-butyl (4S)-4-(2,4-dipropoxyphenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-4-(2,4-dipropoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (4S)-4-(2,4-dipropoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-4-(2,4-dipropoxyphenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid tert-butyl ester Formula: C22H32N2O4S MolecularWeight: 420.56548

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC(=C(C=C1)C2C(=C(NC(=S)N2)C)C(=O)OC(C)(C)C)OCCC

Isomeric SMILES

CCCOC1=CC(=C(C=C1)[C@H]2C(=C(NC(=S)N2)C)C(=O)OC(C)(C)C)OCCC

InChI

InChI=1S/C22H32N2O4S/c1-7-11-26-15-9-10-16(17(13-15)27-12-8-2)19-18(14(3)23-21(29)24-19)20(25)28-22(4,5)6/h9-10,13,19H,7-8,11-12H2,1-6H3,(H2,23,24,29)/t19-/m0/s1