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

Systemtic Name: 2-methylsulfanylethyl (5R,6S)-4-methylidene-2-oxidanylidene-6-(4-propoxyphenyl)-1,3-diazinane-5-carboxylate Openeye Name: 2-methylsulfanylethyl (5R,6S)-4-methylene-2-oxo-6-(4-propoxyphenyl)hexahydropyrimidine-5-carboxylate CAS Name: (5R,6S)-4-methylene-2-oxo-6-(4-propoxyphenyl)-1,3-diazinane-5-carboxylic acid 2-(methylthio)ethyl ester IUPAC Name: 2-methylsulfanylethyl (5R,6S)-4-methylidene-2-oxo-6-(4-propoxyphenyl)-1,3-diazinane-5-carboxylate Traditional Name: (5R,6S)-2-keto-4-methylene-6-(4-propoxyphenyl)hexahydropyrimidine-5-carboxylic acid 2-(methylthio)ethyl ester Formula: C18H24N2O4S MolecularWeight: 364.45916

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C2C(C(=C)NC(=O)N2)C(=O)OCCSC

Isomeric SMILES

CCCOC1=CC=C(C=C1)[C@@H]2[C@H](C(=C)NC(=O)N2)C(=O)OCCSC

InChI

InChI=1S/C18H24N2O4S/c1-4-9-23-14-7-5-13(6-8-14)16-15(12(2)19-18(22)20-16)17(21)24-10-11-25-3/h5-8,15-16H,2,4,9-11H2,1,3H3,(H2,19,20,22)/t15-,16+/m0/s1