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

Systemtic Name: 2-ethylsulfanylethyl (5R,6S)-4-methylidene-6-(4-methylphenyl)-2-oxidanylidene-1,3-diazinane-5-carboxylate Openeye Name: 2-ethylsulfanylethyl (5R,6S)-4-methylene-2-oxo-6-(p-tolyl)hexahydropyrimidine-5-carboxylate CAS Name: (5R,6S)-4-methylene-6-(4-methylphenyl)-2-oxo-1,3-diazinane-5-carboxylic acid 2-(ethylthio)ethyl ester IUPAC Name: 2-ethylsulfanylethyl (5R,6S)-4-methylidene-6-(4-methylphenyl)-2-oxo-1,3-diazinane-5-carboxylate Traditional Name: (5R,6S)-2-keto-4-methylene-6-(p-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=C(C=C2)C

Isomeric SMILES

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

InChI

InChI=1S/C17H22N2O3S/c1-4-23-10-9-22-16(20)14-12(3)18-17(21)19-15(14)13-7-5-11(2)6-8-13/h5-8,14-15H,3-4,9-10H2,1-2H3,(H2,18,19,21)/t14-,15+/m0/s1