methyl 4-methylidene-6-phenyl-1-propanoyl-2-sulfanylidene-1,3-diazinane-5-carboxylate

Systemtic Name: methyl 4-methylidene-6-phenyl-1-propanoyl-2-sulfanylidene-1,3-diazinane-5-carboxylate Openeye Name: methyl 4-methylene-6-phenyl-1-propanoyl-2-thioxo-hexahydropyrimidine-5-carboxylate CAS Name: 4-methylene-1-(1-oxopropyl)-6-phenyl-2-sulfanylidene-1,3-diazinane-5-carboxylic acid methyl ester IUPAC Name: methyl 4-methylidene-6-phenyl-1-propanoyl-2-sulfanylidene-1,3-diazinane-5-carboxylate Traditional Name: 4-methylene-6-phenyl-1-propionyl-2-thioxo-hexahydropyrimidine-5-carboxylic acid methyl ester Formula: C16H18N2O3S MolecularWeight: 318.39072

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1C(C(C(=C)NC1=S)C(=O)OC)C2=CC=CC=C2

Isomeric SMILES

CCC(=O)N1C(C(C(=C)NC1=S)C(=O)OC)C2=CC=CC=C2

InChI

InChI=1S/C16H18N2O3S/c1-4-12(19)18-14(11-8-6-5-7-9-11)13(15(20)21-3)10(2)17-16(18)22/h5-9,13-14H,2,4H2,1,3H3,(H,17,22)