[2-oxidanylidene-2-[(2,4,6-trimethylphenyl)amino]ethyl] 3-(thiophen-2-ylsulfonylamino)propanoate

Systemtic Name: [2-oxidanylidene-2-[(2,4,6-trimethylphenyl)amino]ethyl] 3-(thiophen-2-ylsulfonylamino)propanoate Openeye Name: [2-oxo-2-(2,4,6-trimethylanilino)ethyl] 3-(2-thienylsulfonylamino)propanoate CAS Name: 3-(thiophen-2-ylsulfonylamino)propanoic acid [2-oxo-2-(2,4,6-trimethylanilino)ethyl] ester IUPAC Name: [2-oxo-2-(2,4,6-trimethylanilino)ethyl] 3-(thiophen-2-ylsulfonylamino)propanoate Traditional Name: 3-(2-thienylsulfonylamino)propionic acid (2-keto-2-mesidino-ethyl) ester Formula: C18H22N2O5S2 MolecularWeight: 410.50768

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N2O5S2/c1-12-9-13(2)18(14(3)10-12)20-15(21)11-25-16(22)6-7-19-27(23,24)17-5-4-8-26-17/h4-5,8-10,19H,6-7,11H2,1-3H3,(H,20,21)