[2-[(4-dimethylaminophenyl)amino]-2-oxidanylidene-ethyl] 3-(thiophen-2-ylsulfonylamino)propanoate

Systemtic Name: [2-[(4-dimethylaminophenyl)amino]-2-oxidanylidene-ethyl] 3-(thiophen-2-ylsulfonylamino)propanoate Openeye Name: [2-[4-(dimethylamino)anilino]-2-oxo-ethyl] 3-(2-thienylsulfonylamino)propanoate CAS Name: 3-(thiophen-2-ylsulfonylamino)propanoic acid [2-[4-(dimethylamino)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(dimethylamino)anilino]-2-oxoethyl] 3-(thiophen-2-ylsulfonylamino)propanoate Traditional Name: 3-(2-thienylsulfonylamino)propionic acid [2-[4-(dimethylamino)anilino]-2-keto-ethyl] ester Formula: C17H21N3O5S2 MolecularWeight: 411.49574

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N3O5S2/c1-20(2)14-7-5-13(6-8-14)19-15(21)12-25-16(22)9-10-18-27(23,24)17-4-3-11-26-17/h3-8,11,18H,9-10,12H2,1-2H3,(H,19,21)