2-(5,6-dihydrobenzo[b][1]benzothiepin-3-yl)propanoic acid

Systemtic Name: 2-(5,6-dihydrobenzo[b][1]benzothiepin-3-yl)propanoic acid Openeye Name: 2-(5,6-dihydrobenzo[b][1]benzothiepin-3-yl)propanoic acid CAS Name: 2-(5,6-dihydrobenzo[b][1]benzothiepin-3-yl)propanoic acid IUPAC Name: 2-(5,6-dihydrobenzo[b][1]benzothiepin-3-yl)propanoic acid Traditional Name: 2-(5,6-dihydrobenzo[b][1]benzothiepin-3-yl)propionic acid Formula: C17H16O2S MolecularWeight: 284.37274

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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