methyl (6R)-6-[4-(cyanomethoxy)phenyl]-3-(3-ethoxypropyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: methyl (6R)-6-[4-(cyanomethoxy)phenyl]-3-(3-ethoxypropyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl (6R)-6-[4-(cyanomethoxy)phenyl]-3-(3-ethoxypropyl)-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6R)-6-[4-(cyanomethoxy)phenyl]-3-(3-ethoxypropyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl (6R)-6-[4-(cyanomethoxy)phenyl]-3-(3-ethoxypropyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6R)-6-[4-(cyanomethoxy)phenyl]-3-(3-ethoxypropyl)-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C20H25N3O4S MolecularWeight: 403.4952

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCN1C(=C(C(NC1=S)C2=CC=C(C=C2)OCC#N)C(=O)OC)C

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O4S/c1-4-26-12-5-11-23-14(2)17(19(24)25-3)18(22-20(23)28)15-6-8-16(9-7-15)27-13-10-21/h6-9,18H,4-5,11-13H2,1-3H3,(H,22,28)/t18-/m1/s1