methyl 1,1,5-tris(oxidanylidene)-3,4-dihydro-2H-1$l^{6}-benzothiepine-4-carboxylate

Systemtic Name: methyl 1,1,5-tris(oxidanylidene)-3,4-dihydro-2H-1$l^{6}-benzothiepine-4-carboxylate Openeye Name: methyl 1,1,5-trioxo-3,4-dihydro-2H-1$l^{6}-benzothiepine-4-carboxylate CAS Name: 1,1,5-trioxo-3,4-dihydro-2H-1$l^{6}-benzothiepin-4-carboxylic acid methyl ester IUPAC Name: methyl 1,1,5-trioxo-3,4-dihydro-2H-1$l^{6}-benzothiepine-4-carboxylate Traditional Name: 1,1,5-triketo-3,4-dihydro-2H-1$l^{6}-benzothiepin-4-carboxylic acid methyl ester Formula: C12H12O5S MolecularWeight: 268.28568

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCS(=O)(=O)C2=CC=CC=C2C1=O

Isomeric SMILES

COC(=O)C1CCS(=O)(=O)C2=CC=CC=C2C1=O

InChI

InChI=1S/C12H12O5S/c1-17-12(14)9-6-7-18(15,16)10-5-3-2-4-8(10)11(9)13/h2-5,9H,6-7H2,1H3