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

Systemtic Name: 3-methylbutyl 2-(5,6-dihydrobenzo[b][1]benzothiepin-3-yl)ethanoate Openeye Name: isopentyl 2-(5,6-dihydrobenzo[b][1]benzothiepin-3-yl)acetate CAS Name: 2-(5,6-dihydrobenzo[b][1]benzothiepin-3-yl)acetic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 2-(5,6-dihydrobenzo[b][1]benzothiepin-3-yl)acetate Traditional Name: 2-(5,6-dihydrobenzo[b][1]benzothiepin-3-yl)acetic acid isoamyl ester Formula: C21H24O2S MolecularWeight: 340.47906

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC(=O)CC1=CC2=C(C=C1)SC3=CC=CC=C3CC2

Isomeric SMILES

CC(C)CCOC(=O)CC1=CC2=C(C=C1)SC3=CC=CC=C3CC2

InChI

InChI=1S/C21H24O2S/c1-15(2)11-12-23-21(22)14-16-7-10-20-18(13-16)9-8-17-5-3-4-6-19(17)24-20/h3-7,10,13,15H,8-9,11-12,14H2,1-2H3