3-ethanoyl-5,6-dihydrobenzo[b][1]benzothiepine-9-carboxylate

Systemtic Name: 3-ethanoyl-5,6-dihydrobenzo[b][1]benzothiepine-9-carboxylate Openeye Name: 3-acetyl-5,6-dihydrobenzo[b][1]benzothiepine-9-carboxylate CAS Name: 3-acetyl-5,6-dihydrobenzo[b][1]benzothiepin-9-carboxylate IUPAC Name: 3-acetyl-5,6-dihydrobenzo[b][1]benzothiepine-9-carboxylate Traditional Name: 3-acetyl-5,6-dihydrobenzo[b][1]benzothiepin-9-carboxylate Formula: C17H13O3S- MolecularWeight: 297.34832

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C(C=C1)SC3=C(CC2)C=CC(=C3)C(=O)[O-]

Isomeric SMILES

CC(=O)C1=CC2=C(C=C1)SC3=C(CC2)C=CC(=C3)C(=O)[O-]

InChI

InChI=1S/C17H14O3S/c1-10(18)12-6-7-15-13(8-12)4-2-11-3-5-14(17(19)20)9-16(11)21-15/h3,5-9H,2,4H2,1H3,(H,19,20)/p-1