[2-(3,4-dimethylphenyl)-2-oxidanylidene-ethyl] 2-oxidanyl-5-(thiophen-2-ylsulfonylamino)benzoate

Systemtic Name: [2-(3,4-dimethylphenyl)-2-oxidanylidene-ethyl] 2-oxidanyl-5-(thiophen-2-ylsulfonylamino)benzoate Openeye Name: [2-(3,4-dimethylphenyl)-2-oxo-ethyl] 2-hydroxy-5-(2-thienylsulfonylamino)benzoate CAS Name: 2-hydroxy-5-(thiophen-2-ylsulfonylamino)benzoic acid [2-(3,4-dimethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dimethylphenyl)-2-oxoethyl] 2-hydroxy-5-(thiophen-2-ylsulfonylamino)benzoate Traditional Name: 2-hydroxy-5-(2-thienylsulfonylamino)benzoic acid [2-(3,4-dimethylphenyl)-2-keto-ethyl] ester Formula: C21H19NO6S2 MolecularWeight: 445.50866

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)COC(=O)C2=C(C=CC(=C2)NS(=O)(=O)C3=CC=CS3)O)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)COC(=O)C2=C(C=CC(=C2)NS(=O)(=O)C3=CC=CS3)O)C

InChI

InChI=1S/C21H19NO6S2/c1-13-5-6-15(10-14(13)2)19(24)12-28-21(25)17-11-16(7-8-18(17)23)22-30(26,27)20-4-3-9-29-20/h3-11,22-23H,12H2,1-2H3