3-chloranyl-4-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]thiophene-2-carboxylic acid

Systemtic Name: 3-chloranyl-4-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]thiophene-2-carboxylic acid Openeye Name: 4-[2-[tert-butoxycarbonyl(methyl)amino]ethyl]-3-chloro-thiophene-2-carboxylic acid CAS Name: 3-chloro-4-[2-[methyl-[(2-methylpropan-2-yl)oxy-oxomethyl]amino]ethyl]-2-thiophenecarboxylic acid IUPAC Name: 3-chloro-4-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]thiophene-2-carboxylic acid Traditional Name: 4-[2-[tert-butoxycarbonyl(methyl)amino]ethyl]-3-chloro-2-thenoic acid Formula: C13H18ClNO4S MolecularWeight: 319.80432

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N(C)CCC1=CSC(=C1Cl)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)N(C)CCC1=CSC(=C1Cl)C(=O)O

InChI

InChI=1S/C13H18ClNO4S/c1-13(2,3)19-12(18)15(4)6-5-8-7-20-10(9(8)14)11(16)17/h7H,5-6H2,1-4H3,(H,16,17)