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

Systemtic Name: ethyl (4S)-4-(3-methoxy-2-pentoxy-phenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (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 ethyl ester IUPAC Name: ethyl (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 ethyl ester Formula: C20H28N2O4S MolecularWeight: 392.51232

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28N2O4S/c1-5-7-8-12-26-18-14(10-9-11-15(18)24-4)17-16(19(23)25-6-2)13(3)21-20(27)22-17/h9-11,17H,5-8,12H2,1-4H3,(H2,21,22,27)/t17-/m0/s1