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

Systemtic Name: ethyl 2-benzo[b][1]benzothiepin-3-ylethanoate Openeye Name: ethyl 2-benzo[b][1]benzothiepin-3-ylacetate CAS Name: 2-(3-benzo[b][1]benzothiepinyl)acetic acid ethyl ester IUPAC Name: ethyl 2-benzo[b][1]benzothiepin-3-ylacetate Traditional Name: 2-benzo[b][1]benzothiepin-3-ylacetic acid ethyl ester Formula: C18H16O2S MolecularWeight: 296.38344

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16O2S/c1-2-20-18(19)12-13-7-10-17-15(11-13)9-8-14-5-3-4-6-16(14)21-17/h3-11H,2,12H2,1H3