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

Systemtic Name: cyclopentyl 2-benzo[b][1]benzothiepin-3-ylethanoate Openeye Name: cyclopentyl 2-benzo[b][1]benzothiepin-3-ylacetate CAS Name: 2-(3-benzo[b][1]benzothiepinyl)acetic acid cyclopentyl ester IUPAC Name: cyclopentyl 2-benzo[b][1]benzothiepin-3-ylacetate Traditional Name: 2-benzo[b][1]benzothiepin-3-ylacetic acid cyclopentyl ester Formula: C21H20O2S MolecularWeight: 336.4473

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)OC(=O)CC2=CC3=C(C=C2)SC4=CC=CC=C4C=C3

Isomeric SMILES

C1CCC(C1)OC(=O)CC2=CC3=C(C=C2)SC4=CC=CC=C4C=C3

InChI

InChI=1S/C21H20O2S/c22-21(23-18-6-2-3-7-18)14-15-9-12-20-17(13-15)11-10-16-5-1-4-8-19(16)24-20/h1,4-5,8-13,18H,2-3,6-7,14H2