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

Systemtic Name: 2-methylsulfanylethyl (4S,5R)-4-(2-butoxyphenyl)-6-methylidene-2-oxidanylidene-1,3-diazinane-5-carboxylate Openeye Name: 2-methylsulfanylethyl (4S,5R)-4-(2-butoxyphenyl)-6-methylene-2-oxo-hexahydropyrimidine-5-carboxylate CAS Name: (4S,5R)-4-(2-butoxyphenyl)-6-methylene-2-oxo-1,3-diazinane-5-carboxylic acid 2-(methylthio)ethyl ester IUPAC Name: 2-methylsulfanylethyl (4S,5R)-4-(2-butoxyphenyl)-6-methylidene-2-oxo-1,3-diazinane-5-carboxylate Traditional Name: (4S,5R)-4-(2-butoxyphenyl)-2-keto-6-methylene-hexahydropyrimidine-5-carboxylic acid 2-(methylthio)ethyl ester Formula: C19H26N2O4S MolecularWeight: 378.48574

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC=C1C2C(C(=C)NC(=O)N2)C(=O)OCCSC

Isomeric SMILES

CCCCOC1=CC=CC=C1[C@@H]2[C@H](C(=C)NC(=O)N2)C(=O)OCCSC

InChI

InChI=1S/C19H26N2O4S/c1-4-5-10-24-15-9-7-6-8-14(15)17-16(13(2)20-19(23)21-17)18(22)25-11-12-26-3/h6-9,16-17H,2,4-5,10-12H2,1,3H3,(H2,20,21,23)/t16-,17+/m0/s1