(phenylmethyl) 4-methylidene-2-sulfanylidene-6-(2-thiophen-2-ylcarbonyloxyphenyl)-1,3-diazinane-5-carboxylate

Systemtic Name: (phenylmethyl) 4-methylidene-2-sulfanylidene-6-(2-thiophen-2-ylcarbonyloxyphenyl)-1,3-diazinane-5-carboxylate Openeye Name: benzyl 4-methylene-6-[2-(thiophene-2-carbonyloxy)phenyl]-2-thioxo-hexahydropyrimidine-5-carboxylate CAS Name: 4-methylene-6-[2-[oxo(thiophen-2-yl)methoxy]phenyl]-2-sulfanylidene-1,3-diazinane-5-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-methylidene-2-sulfanylidene-6-[2-(thiophene-2-carbonyloxy)phenyl]-1,3-diazinane-5-carboxylate Traditional Name: 4-methylene-6-[2-(2-thenoyloxy)phenyl]-2-thioxo-hexahydropyrimidine-5-carboxylic acid benzyl ester Formula: C24H20N2O4S2 MolecularWeight: 464.5566

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Descriptors Computed from Structure

Canonical SMILES:

C=C1C(C(NC(=S)N1)C2=CC=CC=C2OC(=O)C3=CC=CS3)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

C=C1C(C(NC(=S)N1)C2=CC=CC=C2OC(=O)C3=CC=CS3)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C24H20N2O4S2/c1-15-20(23(28)29-14-16-8-3-2-4-9-16)21(26-24(31)25-15)17-10-5-6-11-18(17)30-22(27)19-12-7-13-32-19/h2-13,20-21H,1,14H2,(H2,25,26,31)