4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)benzoate

Systemtic Name: 4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)benzoate Openeye Name: 4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)benzoate CAS Name: 4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)benzoate IUPAC Name: 4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)benzoate Traditional Name: 4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)benzoate Formula: C14H13N2O2S- MolecularWeight: 273.33022

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)N=C(S2)NC3=CC=C(C=C3)C(=O)[O-]

Isomeric SMILES

C1CCC2=C(C1)N=C(S2)NC3=CC=C(C=C3)C(=O)[O-]

InChI

InChI=1S/C14H14N2O2S/c17-13(18)9-5-7-10(8-6-9)15-14-16-11-3-1-2-4-12(11)19-14/h5-8H,1-4H2,(H,15,16)(H,17,18)/p-1