dimethyl 3-oxidanylidene-2'-sulfanylidene-spiro[1H-indene-2,5'-pyrimidine]-4',6'-dicarboxylate

Systemtic Name: dimethyl 3-oxidanylidene-2'-sulfanylidene-spiro[1H-indene-2,5'-pyrimidine]-4',6'-dicarboxylate Openeye Name: dimethyl 1-oxo-2'-thioxo-spiro[indane-2,5'-pyrimidine]-4',6'-dicarboxylate CAS Name: 3-oxo-2'-sulfanylidenespiro[1H-indene-2,5'-pyrimidine]-4',6'-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 3-oxo-2'-sulfanylidenespiro[1H-indene-2,5'-pyrimidine]-4',6'-dicarboxylate Traditional Name: 1-keto-2'-thioxo-spiro[indane-2,5'-pyrimidine]-4',6'-dicarboxylic acid dimethyl ester Formula: C16H12N2O5S MolecularWeight: 344.34188

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=NC(=S)N=C(C12CC3=CC=CC=C3C2=O)C(=O)OC

Isomeric SMILES

COC(=O)C1=NC(=S)N=C(C12CC3=CC=CC=C3C2=O)C(=O)OC

InChI

InChI=1S/C16H12N2O5S/c1-22-13(20)10-16(11(14(21)23-2)18-15(24)17-10)7-8-5-3-4-6-9(8)12(16)19/h3-6H,7H2,1-2H3