propan-2-yl 4-methylidene-6-(4-methylsulfanylphenyl)-2-oxidanylidene-1,3-diazinane-5-carboxylate

Systemtic Name: propan-2-yl 4-methylidene-6-(4-methylsulfanylphenyl)-2-oxidanylidene-1,3-diazinane-5-carboxylate Openeye Name: isopropyl 4-methylene-6-(4-methylsulfanylphenyl)-2-oxo-hexahydropyrimidine-5-carboxylate CAS Name: 4-methylene-6-[4-(methylthio)phenyl]-2-oxo-1,3-diazinane-5-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-methylidene-6-(4-methylsulfanylphenyl)-2-oxo-1,3-diazinane-5-carboxylate Traditional Name: 2-keto-4-methylene-6-[4-(methylthio)phenyl]hexahydropyrimidine-5-carboxylic acid isopropyl ester Formula: C16H20N2O3S MolecularWeight: 320.4066

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1C(NC(=O)NC1=C)C2=CC=C(C=C2)SC

Isomeric SMILES

CC(C)OC(=O)C1C(NC(=O)NC1=C)C2=CC=C(C=C2)SC

InChI

InChI=1S/C16H20N2O3S/c1-9(2)21-15(19)13-10(3)17-16(20)18-14(13)11-5-7-12(22-4)8-6-11/h5-9,13-14H,3H2,1-2,4H3,(H2,17,18,20)