3-methyl-5-(2-methylpropanoylamino)-4-[(2-methylpropan-2-yl)oxycarbonyl]thiophene-2-carboxylic acid

Systemtic Name: 3-methyl-5-(2-methylpropanoylamino)-4-[(2-methylpropan-2-yl)oxycarbonyl]thiophene-2-carboxylic acid Openeye Name: 4-tert-butoxycarbonyl-3-methyl-5-(2-methylpropanoylamino)thiophene-2-carboxylic acid CAS Name: 3-methyl-5-[(2-methyl-1-oxopropyl)amino]-4-[(2-methylpropan-2-yl)oxy-oxomethyl]-2-thiophenecarboxylic acid IUPAC Name: 3-methyl-5-(2-methylpropanoylamino)-4-[(2-methylpropan-2-yl)oxycarbonyl]thiophene-2-carboxylic acid Traditional Name: 4-tert-butoxycarbonyl-5-(isobutyrylamino)-3-methyl-2-thenoic acid Formula: C15H21NO5S MolecularWeight: 327.39594

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC(C)(C)C)NC(=O)C(C)C)C(=O)O

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC(C)(C)C)NC(=O)C(C)C)C(=O)O

InChI

InChI=1S/C15H21NO5S/c1-7(2)11(17)16-12-9(14(20)21-15(4,5)6)8(3)10(22-12)13(18)19/h7H,1-6H3,(H,16,17)(H,18,19)