3-(6,11-dihydrobenzo[c][1]benzothiepin-2-yl)propanoic acid

Systemtic Name: 3-(6,11-dihydrobenzo[c][1]benzothiepin-2-yl)propanoic acid Openeye Name: 3-(6,11-dihydrobenzo[c][1]benzothiepin-2-yl)propanoic acid CAS Name: 3-(6,11-dihydrobenzo[c][1]benzothiepin-2-yl)propanoic acid IUPAC Name: 3-(6,11-dihydrobenzo[c][1]benzothiepin-2-yl)propanoic acid Traditional Name: 3-(6,11-dihydrobenzo[c][1]benzothiepin-2-yl)propionic acid Formula: C17H16O2S MolecularWeight: 284.37274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2CSC3=C1C=C(C=C3)CCC(=O)O

Isomeric SMILES

C1C2=CC=CC=C2CSC3=C1C=C(C=C3)CCC(=O)O

InChI

InChI=1S/C17H16O2S/c18-17(19)8-6-12-5-7-16-15(9-12)10-13-3-1-2-4-14(13)11-20-16/h1-5,7,9H,6,8,10-11H2,(H,18,19)