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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)CC3=CC=CC=C3S2

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)CC3=CC=CC=C3S2

InChI

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