butyl 4-[[5-(2,2-dimethylpropanoylamino)-3-methyl-thiophen-2-yl]carbonylamino]benzoate

Systemtic Name: butyl 4-[[5-(2,2-dimethylpropanoylamino)-3-methyl-thiophen-2-yl]carbonylamino]benzoate Openeye Name: butyl 4-[[5-(2,2-dimethylpropanoylamino)-3-methyl-thiophene-2-carbonyl]amino]benzoate CAS Name: 4-[[[5-[(2,2-dimethyl-1-oxopropyl)amino]-3-methyl-2-thiophenyl]-oxomethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[5-(2,2-dimethylpropanoylamino)-3-methylthiophene-2-carbonyl]amino]benzoate Traditional Name: 4-[[3-methyl-5-(pivaloylamino)thiophene-2-carbonyl]amino]benzoic acid butyl ester Formula: C22H28N2O4S MolecularWeight: 416.53372

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C2=C(C=C(S2)NC(=O)C(C)(C)C)C

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C2=C(C=C(S2)NC(=O)C(C)(C)C)C

InChI

InChI=1S/C22H28N2O4S/c1-6-7-12-28-20(26)15-8-10-16(11-9-15)23-19(25)18-14(2)13-17(29-18)24-21(27)22(3,4)5/h8-11,13H,6-7,12H2,1-5H3,(H,23,25)(H,24,27)