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

Systemtic Name: 2-methoxyethyl (5R,6R)-4-methylidene-6-(4-methylsulfanylphenyl)-2-sulfanylidene-1,3-diazinane-5-carboxylate Openeye Name: 2-methoxyethyl (5R,6R)-4-methylene-6-(4-methylsulfanylphenyl)-2-thioxo-hexahydropyrimidine-5-carboxylate CAS Name: (5R,6R)-4-methylene-6-[4-(methylthio)phenyl]-2-sulfanylidene-1,3-diazinane-5-carboxylic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl (5R,6R)-4-methylidene-6-(4-methylsulfanylphenyl)-2-sulfanylidene-1,3-diazinane-5-carboxylate Traditional Name: (5R,6R)-4-methylene-6-[4-(methylthio)phenyl]-2-thioxo-hexahydropyrimidine-5-carboxylic acid 2-methoxyethyl ester Formula: C16H20N2O3S2 MolecularWeight: 352.4716

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N2O3S2/c1-10-13(15(19)21-9-8-20-2)14(18-16(22)17-10)11-4-6-12(23-3)7-5-11/h4-7,13-14H,1,8-9H2,2-3H3,(H2,17,18,22)/t13-,14-/m0/s1