methyl 2-(11-oxidanylidene-5,6-dihydrobenzo[b][1]benzothiepin-3-yl)ethanoate

Systemtic Name: methyl 2-(11-oxidanylidene-5,6-dihydrobenzo[b][1]benzothiepin-3-yl)ethanoate Openeye Name: methyl 2-(11-oxo-5,6-dihydrobenzo[b][1]benzothiepin-3-yl)acetate CAS Name: 2-(11-oxo-5,6-dihydrobenzo[b][1]benzothiepin-3-yl)acetic acid methyl ester IUPAC Name: methyl 2-(11-oxo-5,6-dihydrobenzo[b][1]benzothiepin-3-yl)acetate Traditional Name: 2-(11-keto-5,6-dihydrobenzo[b][1]benzothiepin-3-yl)acetic acid methyl ester Formula: C17H16O3S MolecularWeight: 300.37214

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=CC2=C(C=C1)S(=O)C3=CC=CC=C3CC2

Isomeric SMILES

COC(=O)CC1=CC2=C(C=C1)S(=O)C3=CC=CC=C3CC2

InChI

InChI=1S/C17H16O3S/c1-20-17(18)11-12-6-9-16-14(10-12)8-7-13-4-2-3-5-15(13)21(16)19/h2-6,9-10H,7-8,11H2,1H3