methyl (6S)-3-(3-ethoxypropyl)-6-(4-methoxycarbonylphenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: methyl (6S)-3-(3-ethoxypropyl)-6-(4-methoxycarbonylphenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl (6S)-3-(3-ethoxypropyl)-6-(4-methoxycarbonylphenyl)-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6S)-3-(3-ethoxypropyl)-6-(4-methoxycarbonylphenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl (6S)-3-(3-ethoxypropyl)-6-(4-methoxycarbonylphenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6S)-6-(4-carbomethoxyphenyl)-3-(3-ethoxypropyl)-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C20H26N2O5S MolecularWeight: 406.49584

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCN1C(=C(C(NC1=S)C2=CC=C(C=C2)C(=O)OC)C(=O)OC)C

Isomeric SMILES

CCOCCCN1C(=C([C@@H](NC1=S)C2=CC=C(C=C2)C(=O)OC)C(=O)OC)C

InChI

InChI=1S/C20H26N2O5S/c1-5-27-12-6-11-22-13(2)16(19(24)26-4)17(21-20(22)28)14-7-9-15(10-8-14)18(23)25-3/h7-10,17H,5-6,11-12H2,1-4H3,(H,21,28)/t17-/m0/s1