(phenylmethyl) 4-methylidene-2-oxidanylidene-6-thiophen-2-yl-1,3-diazinane-5-carboxylate

Systemtic Name: (phenylmethyl) 4-methylidene-2-oxidanylidene-6-thiophen-2-yl-1,3-diazinane-5-carboxylate Openeye Name: benzyl 4-methylene-2-oxo-6-(2-thienyl)hexahydropyrimidine-5-carboxylate CAS Name: 4-methylene-2-oxo-6-thiophen-2-yl-1,3-diazinane-5-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-methylidene-2-oxo-6-thiophen-2-yl-1,3-diazinane-5-carboxylate Traditional Name: 2-keto-4-methylene-6-(2-thienyl)hexahydropyrimidine-5-carboxylic acid benzyl ester Formula: C17H16N2O3S MolecularWeight: 328.38554

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Descriptors Computed from Structure

Canonical SMILES:

C=C1C(C(NC(=O)N1)C2=CC=CS2)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

C=C1C(C(NC(=O)N1)C2=CC=CS2)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C17H16N2O3S/c1-11-14(16(20)22-10-12-6-3-2-4-7-12)15(19-17(21)18-11)13-8-5-9-23-13/h2-9,14-15H,1,10H2,(H2,18,19,21)