(4-oxidanylidene-4-thiophen-2-yl-butyl) 2-(1,3-benzothiazol-2-yl)benzoate

Systemtic Name: (4-oxidanylidene-4-thiophen-2-yl-butyl) 2-(1,3-benzothiazol-2-yl)benzoate Openeye Name: [4-oxo-4-(2-thienyl)butyl] 2-(1,3-benzothiazol-2-yl)benzoate CAS Name: 2-(1,3-benzothiazol-2-yl)benzoic acid (4-oxo-4-thiophen-2-ylbutyl) ester IUPAC Name: (4-oxo-4-thiophen-2-ylbutyl) 2-(1,3-benzothiazol-2-yl)benzoate Traditional Name: 2-(1,3-benzothiazol-2-yl)benzoic acid [4-keto-4-(2-thienyl)butyl] ester Formula: C22H17NO3S2 MolecularWeight: 407.50528

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=NC3=CC=CC=C3S2)C(=O)OCCCC(=O)C4=CC=CS4

Isomeric SMILES

C1=CC=C(C(=C1)C2=NC3=CC=CC=C3S2)C(=O)OCCCC(=O)C4=CC=CS4

InChI

InChI=1S/C22H17NO3S2/c24-18(20-12-6-14-27-20)10-5-13-26-22(25)16-8-2-1-7-15(16)21-23-17-9-3-4-11-19(17)28-21/h1-4,6-9,11-12,14H,5,10,13H2