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

Systemtic Name: 2-methoxyethyl (6S)-6-(4-chlorophenyl)-3-(3-ethoxypropyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: 2-methoxyethyl (6S)-6-(4-chlorophenyl)-3-(3-ethoxypropyl)-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6S)-6-(4-chlorophenyl)-3-(3-ethoxypropyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl (6S)-6-(4-chlorophenyl)-3-(3-ethoxypropyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6S)-6-(4-chlorophenyl)-3-(3-ethoxypropyl)-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid 2-methoxyethyl ester Formula: C20H27ClN2O4S MolecularWeight: 426.95738

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCN1C(=C(C(NC1=S)C2=CC=C(C=C2)Cl)C(=O)OCCOC)C

Isomeric SMILES

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

InChI

InChI=1S/C20H27ClN2O4S/c1-4-26-11-5-10-23-14(2)17(19(24)27-13-12-25-3)18(22-20(23)28)15-6-8-16(21)9-7-15/h6-9,18H,4-5,10-13H2,1-3H3,(H,22,28)/t18-/m0/s1