methyl 2-benzo[b][1]benzothiepin-3-ylethanoate

Systemtic Name: methyl 2-benzo[b][1]benzothiepin-3-ylethanoate Openeye Name: methyl 2-benzo[b][1]benzothiepin-3-ylacetate CAS Name: 2-(3-benzo[b][1]benzothiepinyl)acetic acid methyl ester IUPAC Name: methyl 2-benzo[b][1]benzothiepin-3-ylacetate Traditional Name: 2-benzo[b][1]benzothiepin-3-ylacetic acid methyl ester Formula: C17H14O2S MolecularWeight: 282.35686

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=CC2=C(C=C1)SC3=CC=CC=C3C=C2

Isomeric SMILES

COC(=O)CC1=CC2=C(C=C1)SC3=CC=CC=C3C=C2

InChI

InChI=1S/C17H14O2S/c1-19-17(18)11-12-6-9-16-14(10-12)8-7-13-4-2-3-5-15(13)20-16/h2-10H,11H2,1H3