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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(NC1=S)C2=CC=C(C=C2)OCC#N)C(=O)OCCOC)C

Isomeric SMILES

CCCCN1C(=C([C@@H](NC1=S)C2=CC=C(C=C2)OCC#N)C(=O)OCCOC)C

InChI

InChI=1S/C21H27N3O4S/c1-4-5-11-24-15(2)18(20(25)28-14-13-26-3)19(23-21(24)29)16-6-8-17(9-7-16)27-12-10-22/h6-9,19H,4-5,11-14H2,1-3H3,(H,23,29)/t19-/m0/s1