methyl 11-oxidanyl-5,5-bis(oxidanylidene)-6,11-dihydrobenzo[c][1]benzothiepine-3-carboxylate

Systemtic Name: methyl 11-oxidanyl-5,5-bis(oxidanylidene)-6,11-dihydrobenzo[c][1]benzothiepine-3-carboxylate Openeye Name: methyl 11-hydroxy-5,5-dioxo-6,11-dihydrobenzo[c][1]benzothiepine-3-carboxylate CAS Name: 11-hydroxy-5,5-dioxo-6,11-dihydrobenzo[c][1]benzothiepin-3-carboxylic acid methyl ester IUPAC Name: methyl 11-hydroxy-5,5-dioxo-6,11-dihydrobenzo[c][1]benzothiepine-3-carboxylate Traditional Name: 11-hydroxy-5,5-diketo-6,11-dihydrobenzo[c][1]benzothiepin-3-carboxylic acid methyl ester Formula: C16H14O5S MolecularWeight: 318.34436

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(C3=CC=CC=C3CS2(=O)=O)O

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(C3=CC=CC=C3CS2(=O)=O)O

InChI

InChI=1S/C16H14O5S/c1-21-16(18)10-6-7-13-14(8-10)22(19,20)9-11-4-2-3-5-12(11)15(13)17/h2-8,15,17H,9H2,1H3