2-(5,6-dihydrobenzo[b][1]benzothiepin-2-yl)propanoate

Systemtic Name: 2-(5,6-dihydrobenzo[b][1]benzothiepin-2-yl)propanoate Openeye Name: 2-(5,6-dihydrobenzo[b][1]benzothiepin-2-yl)propanoate CAS Name: 2-(5,6-dihydrobenzo[b][1]benzothiepin-2-yl)propanoate IUPAC Name: 2-(5,6-dihydrobenzo[b][1]benzothiepin-2-yl)propanoate Traditional Name: 2-(5,6-dihydrobenzo[b][1]benzothiepin-2-yl)propionate Formula: C17H15O2S- MolecularWeight: 283.3648

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(CCC3=CC=CC=C3S2)C=C1)C(=O)[O-]

Isomeric SMILES

CC(C1=CC2=C(CCC3=CC=CC=C3S2)C=C1)C(=O)[O-]

InChI

InChI=1S/C17H16O2S/c1-11(17(18)19)14-9-8-13-7-6-12-4-2-3-5-15(12)20-16(13)10-14/h2-5,8-11H,6-7H2,1H3,(H,18,19)/p-1