methyl 3-ethanoyl-11,11-bis(oxidanylidene)-5,6-dihydrobenzo[b][1]benzothiepine-9-carboxylate

Systemtic Name: methyl 3-ethanoyl-11,11-bis(oxidanylidene)-5,6-dihydrobenzo[b][1]benzothiepine-9-carboxylate Openeye Name: methyl 3-acetyl-11,11-dioxo-5,6-dihydrobenzo[b][1]benzothiepine-9-carboxylate CAS Name: 3-acetyl-11,11-dioxo-5,6-dihydrobenzo[b][1]benzothiepin-9-carboxylic acid methyl ester IUPAC Name: methyl 3-acetyl-11,11-dioxo-5,6-dihydrobenzo[b][1]benzothiepine-9-carboxylate Traditional Name: 3-acetyl-11,11-diketo-5,6-dihydrobenzo[b][1]benzothiepin-9-carboxylic acid methyl ester Formula: C18H16O5S MolecularWeight: 344.38164

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C(C=C1)S(=O)(=O)C3=C(CC2)C=CC(=C3)C(=O)OC

Isomeric SMILES

CC(=O)C1=CC2=C(C=C1)S(=O)(=O)C3=C(CC2)C=CC(=C3)C(=O)OC

InChI

InChI=1S/C18H16O5S/c1-11(19)13-7-8-16-14(9-13)5-3-12-4-6-15(18(20)23-2)10-17(12)24(16,21)22/h4,6-10H,3,5H2,1-2H3