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

Systemtic Name: ethyl (6S)-6-[4-(cyanomethoxy)phenyl]-3-(3-ethoxypropyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl (6S)-6-[4-(cyanomethoxy)phenyl]-3-(3-ethoxypropyl)-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6S)-6-[4-(cyanomethoxy)phenyl]-3-(3-ethoxypropyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (6S)-6-[4-(cyanomethoxy)phenyl]-3-(3-ethoxypropyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6S)-6-[4-(cyanomethoxy)phenyl]-3-(3-ethoxypropyl)-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C21H27N3O4S MolecularWeight: 417.52178

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O4S/c1-4-26-13-6-12-24-15(3)18(20(25)27-5-2)19(23-21(24)29)16-7-9-17(10-8-16)28-14-11-22/h7-10,19H,4-6,12-14H2,1-3H3,(H,23,29)/t19-/m0/s1