(4-oxidanylidene-4-thiophen-2-yl-butyl) 4-(benzotriazol-1-ylmethyl)benzoate

Systemtic Name: (4-oxidanylidene-4-thiophen-2-yl-butyl) 4-(benzotriazol-1-ylmethyl)benzoate Openeye Name: [4-oxo-4-(2-thienyl)butyl] 4-(benzotriazol-1-ylmethyl)benzoate CAS Name: 4-(1-benzotriazolylmethyl)benzoic acid (4-oxo-4-thiophen-2-ylbutyl) ester IUPAC Name: (4-oxo-4-thiophen-2-ylbutyl) 4-(benzotriazol-1-ylmethyl)benzoate Traditional Name: 4-(benzotriazol-1-ylmethyl)benzoic acid [4-keto-4-(2-thienyl)butyl] ester Formula: C22H19N3O3S MolecularWeight: 405.46956

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=NN2CC3=CC=C(C=C3)C(=O)OCCCC(=O)C4=CC=CS4

Isomeric SMILES

C1=CC=C2C(=C1)N=NN2CC3=CC=C(C=C3)C(=O)OCCCC(=O)C4=CC=CS4

InChI

InChI=1S/C22H19N3O3S/c26-20(21-8-4-14-29-21)7-3-13-28-22(27)17-11-9-16(10-12-17)15-25-19-6-2-1-5-18(19)23-24-25/h1-2,4-6,8-12,14H,3,7,13,15H2