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

Systemtic Name: methyl 5-[[5-(2,2-dimethylpropanoylamino)-3-methyl-thiophen-2-yl]carbonylamino]-2-fluoranyl-benzoate Openeye Name: methyl 5-[[5-(2,2-dimethylpropanoylamino)-3-methyl-thiophene-2-carbonyl]amino]-2-fluoro-benzoate CAS Name: 5-[[[5-[(2,2-dimethyl-1-oxopropyl)amino]-3-methyl-2-thiophenyl]-oxomethyl]amino]-2-fluorobenzoic acid methyl ester IUPAC Name: methyl 5-[[5-(2,2-dimethylpropanoylamino)-3-methylthiophene-2-carbonyl]amino]-2-fluorobenzoate Traditional Name: 2-fluoro-5-[[3-methyl-5-(pivaloylamino)thiophene-2-carbonyl]amino]benzoic acid methyl ester Formula: C19H21FN2O4S MolecularWeight: 392.444443

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1)NC(=O)C(C)(C)C)C(=O)NC2=CC(=C(C=C2)F)C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1)NC(=O)C(C)(C)C)C(=O)NC2=CC(=C(C=C2)F)C(=O)OC

InChI

InChI=1S/C19H21FN2O4S/c1-10-8-14(22-18(25)19(2,3)4)27-15(10)16(23)21-11-6-7-13(20)12(9-11)17(24)26-5/h6-9H,1-5H3,(H,21,23)(H,22,25)