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

Systemtic Name: 5-(4-chlorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]thiophene-2-carboxylic acid Openeye Name: 3-(tert-butoxycarbonylamino)-5-(4-chlorophenyl)thiophene-2-carboxylic acid CAS Name: 5-(4-chlorophenyl)-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-2-thiophenecarboxylic acid IUPAC Name: 5-(4-chlorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]thiophene-2-carboxylic acid Traditional Name: 3-(tert-butoxycarbonylamino)-5-(4-chlorophenyl)-2-thenoic acid Formula: C16H16ClNO4S MolecularWeight: 353.82054

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=C(SC(=C1)C2=CC=C(C=C2)Cl)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)NC1=C(SC(=C1)C2=CC=C(C=C2)Cl)C(=O)O

InChI

InChI=1S/C16H16ClNO4S/c1-16(2,3)22-15(21)18-11-8-12(23-13(11)14(19)20)9-4-6-10(17)7-5-9/h4-8H,1-3H3,(H,18,21)(H,19,20)