2-methoxyethyl (4S)-4-(4-hexoxy-3-methoxy-phenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: 2-methoxyethyl (4S)-4-(4-hexoxy-3-methoxy-phenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: 2-methoxyethyl (4S)-4-(4-hexoxy-3-methoxy-phenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-4-(4-hexoxy-3-methoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl (4S)-4-(4-hexoxy-3-methoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-4-(4-hexoxy-3-methoxy-phenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid 2-methoxyethyl ester Formula: C22H32N2O5S MolecularWeight: 436.56488

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H32N2O5S/c1-5-6-7-8-11-28-17-10-9-16(14-18(17)27-4)20-19(15(2)23-22(30)24-20)21(25)29-13-12-26-3/h9-10,14,20H,5-8,11-13H2,1-4H3,(H2,23,24,30)/t20-/m0/s1