2-methoxyethyl (4S,5R)-6-methylidene-2-methylsulfanyl-4-phenyl-4,5-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: 2-methoxyethyl (4S,5R)-6-methylidene-2-methylsulfanyl-4-phenyl-4,5-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: 2-methoxyethyl (4S,5R)-6-methylene-2-methylsulfanyl-4-phenyl-4,5-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S,5R)-6-methylene-2-(methylthio)-4-phenyl-4,5-dihydro-1H-pyrimidine-5-carboxylic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl (4S,5R)-6-methylidene-2-methylsulfanyl-4-phenyl-4,5-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S,5R)-6-methylene-2-(methylthio)-4-phenyl-4,5-dihydro-1H-pyrimidine-5-carboxylic acid 2-methoxyethyl ester Formula: C16H20N2O3S MolecularWeight: 320.4066

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Descriptors Computed from Structure

Canonical SMILES:

COCCOC(=O)C1C(N=C(NC1=C)SC)C2=CC=CC=C2

Isomeric SMILES

COCCOC(=O)[C@@H]1[C@H](N=C(NC1=C)SC)C2=CC=CC=C2

InChI

InChI=1S/C16H20N2O3S/c1-11-13(15(19)21-10-9-20-2)14(18-16(17-11)22-3)12-7-5-4-6-8-12/h4-8,13-14H,1,9-10H2,2-3H3,(H,17,18)/t13-,14+/m0/s1