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

Systemtic Name: 2-methylsulfanylethyl (5S,6R)-4-methylidene-2-oxidanylidene-6-(3-phenylmethoxyphenyl)-1,3-diazinane-5-carboxylate Openeye Name: 2-methylsulfanylethyl (4R,5S)-4-(3-benzyloxyphenyl)-6-methylene-2-oxo-hexahydropyrimidine-5-carboxylate CAS Name: (5S,6R)-4-methylene-2-oxo-6-(3-phenylmethoxyphenyl)-1,3-diazinane-5-carboxylic acid 2-(methylthio)ethyl ester IUPAC Name: 2-methylsulfanylethyl (5S,6R)-4-methylidene-2-oxo-6-(3-phenylmethoxyphenyl)-1,3-diazinane-5-carboxylate Traditional Name: (4R,5S)-4-(3-benzoxyphenyl)-2-keto-6-methylene-hexahydropyrimidine-5-carboxylic acid 2-(methylthio)ethyl ester Formula: C22H24N2O4S MolecularWeight: 412.50196

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Descriptors Computed from Structure

Canonical SMILES:

CSCCOC(=O)C1C(NC(=O)NC1=C)C2=CC(=CC=C2)OCC3=CC=CC=C3

Isomeric SMILES

CSCCOC(=O)[C@H]1[C@@H](NC(=O)NC1=C)C2=CC(=CC=C2)OCC3=CC=CC=C3

InChI

InChI=1S/C22H24N2O4S/c1-15-19(21(25)27-11-12-29-2)20(24-22(26)23-15)17-9-6-10-18(13-17)28-14-16-7-4-3-5-8-16/h3-10,13,19-20H,1,11-12,14H2,2H3,(H2,23,24,26)/t19-,20+/m1/s1