3-[3-ethanoylsulfanyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-4-methyl-thiophene-2-carboxylic acid

Systemtic Name: 3-[3-ethanoylsulfanyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-4-methyl-thiophene-2-carboxylic acid Openeye Name: 3-[3-acetylsulfanyl-4-(tert-butoxycarbonylamino)butyl]-4-methyl-thiophene-2-carboxylic acid CAS Name: 3-[3-(acetylthio)-4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]butyl]-4-methyl-2-thiophenecarboxylic acid IUPAC Name: 3-[3-acetylsulfanyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-4-methylthiophene-2-carboxylic acid Traditional Name: 3-[3-(acetylthio)-4-(tert-butoxycarbonylamino)butyl]-4-methyl-2-thenoic acid Formula: C17H25NO5S2 MolecularWeight: 387.5141

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=C1CCC(CNC(=O)OC(C)(C)C)SC(=O)C)C(=O)O

Isomeric SMILES

CC1=CSC(=C1CCC(CNC(=O)OC(C)(C)C)SC(=O)C)C(=O)O

InChI

InChI=1S/C17H25NO5S2/c1-10-9-24-14(15(20)21)13(10)7-6-12(25-11(2)19)8-18-16(22)23-17(3,4)5/h9,12H,6-8H2,1-5H3,(H,18,22)(H,20,21)