methyl 7-methoxy-1,1-bis(oxidanylidene)-2,3-dihydro-1$l^{6}-benzothiepine-4-carboxylate

Systemtic Name: methyl 7-methoxy-1,1-bis(oxidanylidene)-2,3-dihydro-1$l^{6}-benzothiepine-4-carboxylate Openeye Name: methyl 7-methoxy-1,1-dioxo-2,3-dihydro-1$l^{6}-benzothiepine-4-carboxylate CAS Name: 7-methoxy-1,1-dioxo-2,3-dihydro-1$l^{6}-benzothiepin-4-carboxylic acid methyl ester IUPAC Name: methyl 7-methoxy-1,1-dioxo-2,3-dihydro-1$l^{6}-benzothiepine-4-carboxylate Traditional Name: 1,1-diketo-7-methoxy-2,3-dihydro-1$l^{6}-benzothiepin-4-carboxylic acid methyl ester Formula: C13H14O5S MolecularWeight: 282.31226

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)S(=O)(=O)CCC(=C2)C(=O)OC

Isomeric SMILES

COC1=CC2=C(C=C1)S(=O)(=O)CCC(=C2)C(=O)OC

InChI

InChI=1S/C13H14O5S/c1-17-11-3-4-12-10(8-11)7-9(13(14)18-2)5-6-19(12,15)16/h3-4,7-8H,5-6H2,1-2H3