5-(4-chlorophenyl)-4-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]thiophene-2-carboxylic acid

Systemtic Name: 5-(4-chlorophenyl)-4-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]thiophene-2-carboxylic acid Openeye Name: 3-(tert-butoxycarbonylamino)-5-(4-chlorophenyl)-4-methyl-thiophene-2-carboxylic acid CAS Name: 5-(4-chlorophenyl)-4-methyl-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-2-thiophenecarboxylic acid IUPAC Name: 5-(4-chlorophenyl)-4-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]thiophene-2-carboxylic acid Traditional Name: 3-(tert-butoxycarbonylamino)-5-(4-chlorophenyl)-4-methyl-2-thenoic acid Formula: C17H18ClNO4S MolecularWeight: 367.84712

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1NC(=O)OC(C)(C)C)C(=O)O)C2=CC=C(C=C2)Cl

Isomeric SMILES

CC1=C(SC(=C1NC(=O)OC(C)(C)C)C(=O)O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C17H18ClNO4S/c1-9-12(19-16(22)23-17(2,3)4)14(15(20)21)24-13(9)10-5-7-11(18)8-6-10/h5-8H,1-4H3,(H,19,22)(H,20,21)