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

Systemtic Name: 2-ethylsulfanylethyl (5R,6S)-4-methylidene-2-oxidanylidene-6-phenyl-1,3-diazinane-5-carboxylate Openeye Name: 2-ethylsulfanylethyl (5R,6S)-4-methylene-2-oxo-6-phenyl-hexahydropyrimidine-5-carboxylate CAS Name: (5R,6S)-4-methylene-2-oxo-6-phenyl-1,3-diazinane-5-carboxylic acid 2-(ethylthio)ethyl ester IUPAC Name: 2-ethylsulfanylethyl (5R,6S)-4-methylidene-2-oxo-6-phenyl-1,3-diazinane-5-carboxylate Traditional Name: (5R,6S)-2-keto-4-methylene-6-phenyl-hexahydropyrimidine-5-carboxylic acid 2-(ethylthio)ethyl ester Formula: C16H20N2O3S MolecularWeight: 320.4066

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Descriptors Computed from Structure

Canonical SMILES:

CCSCCOC(=O)C1C(NC(=O)NC1=C)C2=CC=CC=C2

Isomeric SMILES

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

InChI

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