ethyl 1-ethanoyl-4-methylidene-6-phenyl-2-sulfanylidene-1,3-diazinane-5-carboxylate

Systemtic Name: ethyl 1-ethanoyl-4-methylidene-6-phenyl-2-sulfanylidene-1,3-diazinane-5-carboxylate Openeye Name: ethyl 1-acetyl-4-methylene-6-phenyl-2-thioxo-hexahydropyrimidine-5-carboxylate CAS Name: 1-acetyl-4-methylene-6-phenyl-2-sulfanylidene-1,3-diazinane-5-carboxylic acid ethyl ester IUPAC Name: ethyl 1-acetyl-4-methylidene-6-phenyl-2-sulfanylidene-1,3-diazinane-5-carboxylate Traditional Name: 1-acetyl-4-methylene-6-phenyl-2-thioxo-hexahydropyrimidine-5-carboxylic acid ethyl ester Formula: C16H18N2O3S MolecularWeight: 318.39072

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(N(C(=S)NC1=C)C(=O)C)C2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C1C(N(C(=S)NC1=C)C(=O)C)C2=CC=CC=C2

InChI

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