[1-[(4-tert-butylphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(thiophen-2-ylsulfonylamino)propanoate

Systemtic Name: [1-[(4-tert-butylphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(thiophen-2-ylsulfonylamino)propanoate Openeye Name: [2-(4-tert-butylanilino)-1-methyl-2-oxo-ethyl] 3-(2-thienylsulfonylamino)propanoate CAS Name: 3-(thiophen-2-ylsulfonylamino)propanoic acid [1-(4-tert-butylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-tert-butylanilino)-1-oxopropan-2-yl] 3-(thiophen-2-ylsulfonylamino)propanoate Traditional Name: 3-(2-thienylsulfonylamino)propionic acid [2-(4-tert-butylanilino)-2-keto-1-methyl-ethyl] ester Formula: C20H26N2O5S2 MolecularWeight: 438.56084

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C(C)(C)C)OC(=O)CCNS(=O)(=O)C2=CC=CS2

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)C(C)(C)C)OC(=O)CCNS(=O)(=O)C2=CC=CS2

InChI

InChI=1S/C20H26N2O5S2/c1-14(19(24)22-16-9-7-15(8-10-16)20(2,3)4)27-17(23)11-12-21-29(25,26)18-6-5-13-28-18/h5-10,13-14,21H,11-12H2,1-4H3,(H,22,24)