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

Systemtic Name: ethyl 2-(6-oxidanyl-5,6-dihydrobenzo[b][1]benzothiepin-3-yl)ethanoate Openeye Name: ethyl 2-(6-hydroxy-5,6-dihydrobenzo[b][1]benzothiepin-3-yl)acetate CAS Name: 2-(6-hydroxy-5,6-dihydrobenzo[b][1]benzothiepin-3-yl)acetic acid ethyl ester IUPAC Name: ethyl 2-(6-hydroxy-5,6-dihydrobenzo[b][1]benzothiepin-3-yl)acetate Traditional Name: 2-(6-hydroxy-5,6-dihydrobenzo[b][1]benzothiepin-3-yl)acetic acid ethyl ester Formula: C18H18O3S MolecularWeight: 314.39872

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18O3S/c1-2-21-18(20)10-12-7-8-16-13(9-12)11-15(19)14-5-3-4-6-17(14)22-16/h3-9,15,19H,2,10-11H2,1H3