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

Systemtic Name: 2-methylsulfanylethyl (5S,6R)-4-methylidene-2-oxidanylidene-6-(3-phenoxyphenyl)-1,3-diazinane-5-carboxylate Openeye Name: 2-methylsulfanylethyl (5S,6R)-4-methylene-2-oxo-6-(3-phenoxyphenyl)hexahydropyrimidine-5-carboxylate CAS Name: (5S,6R)-4-methylene-2-oxo-6-(3-phenoxyphenyl)-1,3-diazinane-5-carboxylic acid 2-(methylthio)ethyl ester IUPAC Name: 2-methylsulfanylethyl (5S,6R)-4-methylidene-2-oxo-6-(3-phenoxyphenyl)-1,3-diazinane-5-carboxylate Traditional Name: (5S,6R)-2-keto-4-methylene-6-(3-phenoxyphenyl)hexahydropyrimidine-5-carboxylic acid 2-(methylthio)ethyl ester Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

CSCCOC(=O)C1C(NC(=O)NC1=C)C2=CC(=CC=C2)OC3=CC=CC=C3

Isomeric SMILES

CSCCOC(=O)[C@H]1[C@@H](NC(=O)NC1=C)C2=CC(=CC=C2)OC3=CC=CC=C3

InChI

InChI=1S/C21H22N2O4S/c1-14-18(20(24)26-11-12-28-2)19(23-21(25)22-14)15-7-6-10-17(13-15)27-16-8-4-3-5-9-16/h3-10,13,18-19H,1,11-12H2,2H3,(H2,22,23,25)/t18-,19+/m1/s1