[1-[(2-butan-2-ylphenyl)amino]-1-oxidanylidene-propan-2-yl] 5-[2-(methylsulfonylamino)ethyl]thiophene-2-carboxylate

Systemtic Name: [1-[(2-butan-2-ylphenyl)amino]-1-oxidanylidene-propan-2-yl] 5-[2-(methylsulfonylamino)ethyl]thiophene-2-carboxylate Openeye Name: [1-methyl-2-oxo-2-(2-sec-butylanilino)ethyl] 5-[2-(methanesulfonamido)ethyl]thiophene-2-carboxylate CAS Name: 5-[2-(methanesulfonamido)ethyl]-2-thiophenecarboxylic acid [1-(2-butan-2-ylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-butan-2-ylanilino)-1-oxopropan-2-yl] 5-[2-(methanesulfonamido)ethyl]thiophene-2-carboxylate Traditional Name: 5-[2-(methanesulfonamido)ethyl]thiophene-2-carboxylic acid [2-keto-1-methyl-2-(2-sec-butylanilino)ethyl] ester Formula: C21H28N2O5S2 MolecularWeight: 452.58742

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=CC=C1NC(=O)C(C)OC(=O)C2=CC=C(S2)CCNS(=O)(=O)C

Isomeric SMILES

CCC(C)C1=CC=CC=C1NC(=O)C(C)OC(=O)C2=CC=C(S2)CCNS(=O)(=O)C

InChI

InChI=1S/C21H28N2O5S2/c1-5-14(2)17-8-6-7-9-18(17)23-20(24)15(3)28-21(25)19-11-10-16(29-19)12-13-22-30(4,26)27/h6-11,14-15,22H,5,12-13H2,1-4H3,(H,23,24)