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

Systemtic Name: 2-methoxyethyl (5S,6R)-4-methylidene-6-phenyl-2-sulfanylidene-1,3-diazinane-5-carboxylate Openeye Name: 2-methoxyethyl (5S,6R)-4-methylene-6-phenyl-2-thioxo-hexahydropyrimidine-5-carboxylate CAS Name: (5S,6R)-4-methylene-6-phenyl-2-sulfanylidene-1,3-diazinane-5-carboxylic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl (5S,6R)-4-methylidene-6-phenyl-2-sulfanylidene-1,3-diazinane-5-carboxylate Traditional Name: (5S,6R)-4-methylene-6-phenyl-2-thioxo-hexahydropyrimidine-5-carboxylic acid 2-methoxyethyl ester Formula: C15H18N2O3S MolecularWeight: 306.38002

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18N2O3S/c1-10-12(14(18)20-9-8-19-2)13(17-15(21)16-10)11-6-4-3-5-7-11/h3-7,12-13H,1,8-9H2,2H3,(H2,16,17,21)/t12-,13+/m1/s1