[2-oxidanylidene-2-(thiophen-2-ylcarbonylamino)ethyl] 2-(2,5-dimethylphenyl)sulfonyloxybenzoate

Systemtic Name: [2-oxidanylidene-2-(thiophen-2-ylcarbonylamino)ethyl] 2-(2,5-dimethylphenyl)sulfonyloxybenzoate Openeye Name: [2-oxo-2-(thiophene-2-carbonylamino)ethyl] 2-(2,5-dimethylphenyl)sulfonyloxybenzoate CAS Name: 2-(2,5-dimethylphenyl)sulfonyloxybenzoic acid [2-oxo-2-[[oxo(thiophen-2-yl)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(thiophene-2-carbonylamino)ethyl] 2-(2,5-dimethylphenyl)sulfonyloxybenzoate Traditional Name: 2-(2,5-dimethylphenyl)sulfonyloxybenzoic acid [2-keto-2-(2-thenoylamino)ethyl] ester Formula: C22H19NO7S2 MolecularWeight: 473.51876

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)OC2=CC=CC=C2C(=O)OCC(=O)NC(=O)C3=CC=CS3

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)OC2=CC=CC=C2C(=O)OCC(=O)NC(=O)C3=CC=CS3

InChI

InChI=1S/C22H19NO7S2/c1-14-9-10-15(2)19(12-14)32(27,28)30-17-7-4-3-6-16(17)22(26)29-13-20(24)23-21(25)18-8-5-11-31-18/h3-12H,13H2,1-2H3,(H,23,24,25)