2-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)ethanoic acid

Systemtic Name: 2-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)ethanoic acid Openeye Name: 2-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)acetic acid CAS Name: 2-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)acetic acid IUPAC Name: 2-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)acetic acid Traditional Name: 2-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)acetic acid Formula: C13H11NO2S MolecularWeight: 245.29694

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C3=CC=CC=C31)N=C(S2)CC(=O)O

Isomeric SMILES

C1CC2=C(C3=CC=CC=C31)N=C(S2)CC(=O)O

InChI

InChI=1S/C13H11NO2S/c15-12(16)7-11-14-13-9-4-2-1-3-8(9)5-6-10(13)17-11/h1-4H,5-7H2,(H,15,16)