4-[2-[3-oxidanylidene-3-(thiophen-2-ylmethylamino)propyl]-1,3-benzothiazol-5-yl]benzoic acid

Systemtic Name: 4-[2-[3-oxidanylidene-3-(thiophen-2-ylmethylamino)propyl]-1,3-benzothiazol-5-yl]benzoic acid Openeye Name: 4-[2-[3-oxo-3-(2-thienylmethylamino)propyl]-1,3-benzothiazol-5-yl]benzoic acid CAS Name: 4-[2-[3-oxo-3-(thiophen-2-ylmethylamino)propyl]-1,3-benzothiazol-5-yl]benzoic acid IUPAC Name: 4-[2-[3-oxo-3-(thiophen-2-ylmethylamino)propyl]-1,3-benzothiazol-5-yl]benzoic acid Traditional Name: 4-[2-[3-keto-3-(2-thenylamino)propyl]-1,3-benzothiazol-5-yl]benzoic acid Formula: C22H18N2O3S2 MolecularWeight: 422.51992

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)CNC(=O)CCC2=NC3=C(S2)C=CC(=C3)C4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1=CSC(=C1)CNC(=O)CCC2=NC3=C(S2)C=CC(=C3)C4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C22H18N2O3S2/c25-20(23-13-17-2-1-11-28-17)9-10-21-24-18-12-16(7-8-19(18)29-21)14-3-5-15(6-4-14)22(26)27/h1-8,11-12H,9-10,13H2,(H,23,25)(H,26,27)