methyl 6-oxidanylidene-5H-benzo[b][1]benzothiepine-2-carboxylate

Systemtic Name: methyl 6-oxidanylidene-5H-benzo[b][1]benzothiepine-2-carboxylate Openeye Name: methyl 6-oxo-5H-benzo[b][1]benzothiepine-2-carboxylate CAS Name: 6-oxo-5H-benzo[b][1]benzothiepin-2-carboxylic acid methyl ester IUPAC Name: methyl 6-oxo-5H-benzo[b][1]benzothiepine-2-carboxylate Traditional Name: 6-keto-5H-benzo[b][1]benzothiepin-2-carboxylic acid methyl ester Formula: C16H12O3S MolecularWeight: 284.32968

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(CC(=O)C3=CC=CC=C3S2)C=C1

Isomeric SMILES

COC(=O)C1=CC2=C(CC(=O)C3=CC=CC=C3S2)C=C1

InChI

InChI=1S/C16H12O3S/c1-19-16(18)11-7-6-10-8-13(17)12-4-2-3-5-14(12)20-15(10)9-11/h2-7,9H,8H2,1H3