[2-[(2-ethyl-6-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-(thiophen-2-ylsulfonylamino)propanoate

Systemtic Name: [2-[(2-ethyl-6-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-(thiophen-2-ylsulfonylamino)propanoate Openeye Name: [2-(2-ethyl-6-methyl-anilino)-2-oxo-ethyl] 3-(2-thienylsulfonylamino)propanoate CAS Name: 3-(thiophen-2-ylsulfonylamino)propanoic acid [2-(2-ethyl-6-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 3-(thiophen-2-ylsulfonylamino)propanoate Traditional Name: 3-(2-thienylsulfonylamino)propionic acid [2-(2-ethyl-6-methyl-anilino)-2-keto-ethyl] ester Formula: C18H22N2O5S2 MolecularWeight: 410.50768

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)COC(=O)CCNS(=O)(=O)C2=CC=CS2)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)COC(=O)CCNS(=O)(=O)C2=CC=CS2)C

InChI

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