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

Systemtic Name: 2-methoxyethyl (4S)-4-(3-methoxy-2-pentoxy-phenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: 2-methoxyethyl (4S)-4-(3-methoxy-2-pentoxy-phenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-4-(3-methoxy-2-pentoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl (4S)-4-(3-methoxy-2-pentoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-4-(2-amoxy-3-methoxy-phenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid 2-methoxyethyl ester Formula: C21H30N2O5S MolecularWeight: 422.5383

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C(C=CC=C1OC)C2C(=C(NC(=S)N2)C)C(=O)OCCOC

Isomeric SMILES

CCCCCOC1=C(C=CC=C1OC)[C@H]2C(=C(NC(=S)N2)C)C(=O)OCCOC

InChI

InChI=1S/C21H30N2O5S/c1-5-6-7-11-27-19-15(9-8-10-16(19)26-4)18-17(14(2)22-21(29)23-18)20(24)28-13-12-25-3/h8-10,18H,5-7,11-13H2,1-4H3,(H2,22,23,29)/t18-/m0/s1