4-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-ylamino)benzoic acid

Systemtic Name: 4-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-ylamino)benzoic acid Openeye Name: 4-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-ylamino)benzoic acid CAS Name: 4-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-ylamino)benzoic acid IUPAC Name: 4-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-ylamino)benzoic acid Traditional Name: 4-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-ylamino)benzoic acid Formula: C18H14N2O2S MolecularWeight: 322.38096

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C3=CC=CC=C31)N=C(S2)NC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1CC2=C(C3=CC=CC=C31)N=C(S2)NC4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C18H14N2O2S/c21-17(22)12-5-8-13(9-6-12)19-18-20-16-14-4-2-1-3-11(14)7-10-15(16)23-18/h1-6,8-9H,7,10H2,(H,19,20)(H,21,22)