2-methylsulfanylethyl (4S,5R)-4-[4-(diethylamino)phenyl]-6-methylidene-2-oxidanylidene-1,3-diazinane-5-carboxylate

Systemtic Name: 2-methylsulfanylethyl (4S,5R)-4-[4-(diethylamino)phenyl]-6-methylidene-2-oxidanylidene-1,3-diazinane-5-carboxylate Openeye Name: 2-methylsulfanylethyl (4S,5R)-4-[4-(diethylamino)phenyl]-6-methylene-2-oxo-hexahydropyrimidine-5-carboxylate CAS Name: (4S,5R)-4-[4-(diethylamino)phenyl]-6-methylene-2-oxo-1,3-diazinane-5-carboxylic acid 2-(methylthio)ethyl ester IUPAC Name: 2-methylsulfanylethyl (4S,5R)-4-[4-(diethylamino)phenyl]-6-methylidene-2-oxo-1,3-diazinane-5-carboxylate Traditional Name: (4S,5R)-4-[4-(diethylamino)phenyl]-2-keto-6-methylene-hexahydropyrimidine-5-carboxylic acid 2-(methylthio)ethyl ester Formula: C19H27N3O3S MolecularWeight: 377.50098

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H27N3O3S/c1-5-22(6-2)15-9-7-14(8-10-15)17-16(13(3)20-19(24)21-17)18(23)25-11-12-26-4/h7-10,16-17H,3,5-6,11-12H2,1-2,4H3,(H2,20,21,24)/t16-,17+/m0/s1