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

Systemtic Name: 2-ethylsulfanylethyl (5S,6R)-4-methylidene-6-(3-methylphenyl)-2-oxidanylidene-1,3-diazinane-5-carboxylate Openeye Name: 2-ethylsulfanylethyl (5S,6R)-4-methylene-6-(m-tolyl)-2-oxo-hexahydropyrimidine-5-carboxylate CAS Name: (5S,6R)-4-methylene-6-(3-methylphenyl)-2-oxo-1,3-diazinane-5-carboxylic acid 2-(ethylthio)ethyl ester IUPAC Name: 2-ethylsulfanylethyl (5S,6R)-4-methylidene-6-(3-methylphenyl)-2-oxo-1,3-diazinane-5-carboxylate Traditional Name: (5S,6R)-2-keto-4-methylene-6-(m-tolyl)hexahydropyrimidine-5-carboxylic acid 2-(ethylthio)ethyl ester Formula: C17H22N2O3S MolecularWeight: 334.43318

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N2O3S/c1-4-23-9-8-22-16(20)14-12(3)18-17(21)19-15(14)13-7-5-6-11(2)10-13/h5-7,10,14-15H,3-4,8-9H2,1-2H3,(H2,18,19,21)/t14-,15+/m1/s1