[2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 3-(thiophen-2-ylsulfonylamino)propanoate

Systemtic Name: [2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 3-(thiophen-2-ylsulfonylamino)propanoate Openeye Name: [2-(3,5-dimethylanilino)-2-oxo-ethyl] 3-(2-thienylsulfonylamino)propanoate CAS Name: 3-(thiophen-2-ylsulfonylamino)propanoic acid [2-(3,5-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,5-dimethylanilino)-2-oxoethyl] 3-(thiophen-2-ylsulfonylamino)propanoate Traditional Name: 3-(2-thienylsulfonylamino)propionic acid [2-(3,5-dimethylanilino)-2-keto-ethyl] ester Formula: C17H20N2O5S2 MolecularWeight: 396.4811

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)COC(=O)CCNS(=O)(=O)C2=CC=CS2)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)COC(=O)CCNS(=O)(=O)C2=CC=CS2)C

InChI

InChI=1S/C17H20N2O5S2/c1-12-8-13(2)10-14(9-12)19-15(20)11-24-16(21)5-6-18-26(22,23)17-4-3-7-25-17/h3-4,7-10,18H,5-6,11H2,1-2H3,(H,19,20)