2-methoxyethyl (5S,6R)-4-methylidene-6-(4-methylsulfanylphenyl)-2-oxidanylidene-1,3-diazinane-5-carboxylate

Systemtic Name: 2-methoxyethyl (5S,6R)-4-methylidene-6-(4-methylsulfanylphenyl)-2-oxidanylidene-1,3-diazinane-5-carboxylate Openeye Name: 2-methoxyethyl (5S,6R)-4-methylene-6-(4-methylsulfanylphenyl)-2-oxo-hexahydropyrimidine-5-carboxylate CAS Name: (5S,6R)-4-methylene-6-[4-(methylthio)phenyl]-2-oxo-1,3-diazinane-5-carboxylic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl (5S,6R)-4-methylidene-6-(4-methylsulfanylphenyl)-2-oxo-1,3-diazinane-5-carboxylate Traditional Name: (5S,6R)-2-keto-4-methylene-6-[4-(methylthio)phenyl]hexahydropyrimidine-5-carboxylic acid 2-methoxyethyl ester Formula: C16H20N2O4S MolecularWeight: 336.406

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N2O4S/c1-10-13(15(19)22-9-8-21-2)14(18-16(20)17-10)11-4-6-12(23-3)7-5-11/h4-7,13-14H,1,8-9H2,2-3H3,(H2,17,18,20)/t13-,14+/m1/s1