(4-oxidanylidene-4-thiophen-2-yl-butyl) 3-phenyl-2,1-benzoxazole-5-carboxylate

Systemtic Name: (4-oxidanylidene-4-thiophen-2-yl-butyl) 3-phenyl-2,1-benzoxazole-5-carboxylate Openeye Name: [4-oxo-4-(2-thienyl)butyl] 3-phenyl-2,1-benzoxazole-5-carboxylate CAS Name: 3-phenyl-2,1-benzoxazole-5-carboxylic acid (4-oxo-4-thiophen-2-ylbutyl) ester IUPAC Name: (4-oxo-4-thiophen-2-ylbutyl) 3-phenyl-2,1-benzoxazole-5-carboxylate Traditional Name: 3-phenylanthranil-5-carboxylic acid [4-keto-4-(2-thienyl)butyl] ester Formula: C22H17NO4S MolecularWeight: 391.43968

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C3C=C(C=CC3=NO2)C(=O)OCCCC(=O)C4=CC=CS4

Isomeric SMILES

C1=CC=C(C=C1)C2=C3C=C(C=CC3=NO2)C(=O)OCCCC(=O)C4=CC=CS4

InChI

InChI=1S/C22H17NO4S/c24-19(20-9-5-13-28-20)8-4-12-26-22(25)16-10-11-18-17(14-16)21(27-23-18)15-6-2-1-3-7-15/h1-3,5-7,9-11,13-14H,4,8,12H2