3-[(5-chloranyl-1-benzothiophen-3-yl)methylsulfanyl]-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid

Systemtic Name: 3-[(5-chloranyl-1-benzothiophen-3-yl)methylsulfanyl]-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid Openeye Name: 2-(tert-butoxycarbonylamino)-3-[(5-chlorobenzothiophen-3-yl)methylsulfanyl]-3-methyl-butanoic acid CAS Name: 3-[(5-chloro-1-benzothiophen-3-yl)methylthio]-3-methyl-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]butanoic acid IUPAC Name: 3-[(5-chloro-1-benzothiophen-3-yl)methylsulfanyl]-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid Traditional Name: 2-(tert-butoxycarbonylamino)-3-[(5-chlorobenzothiophen-3-yl)methylthio]-3-methyl-butyric acid Formula: C19H24ClNO4S2 MolecularWeight: 429.98116

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(C(=O)O)C(C)(C)SCC1=CSC2=C1C=C(C=C2)Cl

Isomeric SMILES

CC(C)(C)OC(=O)NC(C(=O)O)C(C)(C)SCC1=CSC2=C1C=C(C=C2)Cl

InChI

InChI=1S/C19H24ClNO4S2/c1-18(2,3)25-17(24)21-15(16(22)23)19(4,5)27-10-11-9-26-14-7-6-12(20)8-13(11)14/h6-9,15H,10H2,1-5H3,(H,21,24)(H,22,23)