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

Systemtic Name: 2-methoxyethyl (4S)-4-(4-butoxy-3-methoxy-phenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: 2-methoxyethyl (4S)-4-(4-butoxy-3-methoxy-phenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-4-(4-butoxy-3-methoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl (4S)-4-(4-butoxy-3-methoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-4-(4-butoxy-3-methoxy-phenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid 2-methoxyethyl ester Formula: C20H28N2O5S MolecularWeight: 408.51172

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C2C(=C(NC(=S)N2)C)C(=O)OCCOC)OC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)[C@H]2C(=C(NC(=S)N2)C)C(=O)OCCOC)OC

InChI

InChI=1S/C20H28N2O5S/c1-5-6-9-26-15-8-7-14(12-16(15)25-4)18-17(13(2)21-20(28)22-18)19(23)27-11-10-24-3/h7-8,12,18H,5-6,9-11H2,1-4H3,(H2,21,22,28)/t18-/m0/s1