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

Systemtic Name: methyl 5,5-bis(oxidanylidene)-6,11-dihydrobenzo[c][1]benzothiepine-3-carboxylate Openeye Name: methyl 5,5-dioxo-6,11-dihydrobenzo[c][1]benzothiepine-3-carboxylate CAS Name: 5,5-dioxo-6,11-dihydrobenzo[c][1]benzothiepin-3-carboxylic acid methyl ester IUPAC Name: methyl 5,5-dioxo-6,11-dihydrobenzo[c][1]benzothiepine-3-carboxylate Traditional Name: 5,5-diketo-6,11-dihydrobenzo[c][1]benzothiepin-3-carboxylic acid methyl ester Formula: C16H14O4S MolecularWeight: 302.34496

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(CC3=CC=CC=C3CS2(=O)=O)C=C1

Isomeric SMILES

COC(=O)C1=CC2=C(CC3=CC=CC=C3CS2(=O)=O)C=C1

InChI

InChI=1S/C16H14O4S/c1-20-16(17)13-7-6-12-8-11-4-2-3-5-14(11)10-21(18,19)15(12)9-13/h2-7,9H,8,10H2,1H3