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

Systemtic Name: 2-methylsulfanylethyl (4S,5S)-4-(4-ethoxyphenyl)-6-methylidene-2-oxidanylidene-1,3-diazinane-5-carboxylate Openeye Name: 2-methylsulfanylethyl (4S,5S)-4-(4-ethoxyphenyl)-6-methylene-2-oxo-hexahydropyrimidine-5-carboxylate CAS Name: (4S,5S)-4-(4-ethoxyphenyl)-6-methylene-2-oxo-1,3-diazinane-5-carboxylic acid 2-(methylthio)ethyl ester IUPAC Name: 2-methylsulfanylethyl (4S,5S)-4-(4-ethoxyphenyl)-6-methylidene-2-oxo-1,3-diazinane-5-carboxylate Traditional Name: (5S,6S)-2-keto-4-methylene-6-p-phenetyl-hexahydropyrimidine-5-carboxylic acid 2-(methylthio)ethyl ester Formula: C17H22N2O4S MolecularWeight: 350.43258

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2C(C(=C)NC(=O)N2)C(=O)OCCSC

Isomeric SMILES

CCOC1=CC=C(C=C1)[C@@H]2[C@@H](C(=C)NC(=O)N2)C(=O)OCCSC

InChI

InChI=1S/C17H22N2O4S/c1-4-22-13-7-5-12(6-8-13)15-14(11(2)18-17(21)19-15)16(20)23-9-10-24-3/h5-8,14-15H,2,4,9-10H2,1,3H3,(H2,18,19,21)/t14-,15-/m1/s1