methyl 5-[3-ethanoylsulfanyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]thiophene-2-carboxylate

Systemtic Name: methyl 5-[3-ethanoylsulfanyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]thiophene-2-carboxylate Openeye Name: methyl 5-[3-acetylsulfanyl-4-(tert-butoxycarbonylamino)butyl]thiophene-2-carboxylate CAS Name: 5-[3-(acetylthio)-4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]butyl]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-[3-acetylsulfanyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]thiophene-2-carboxylate Traditional Name: 5-[3-(acetylthio)-4-(tert-butoxycarbonylamino)butyl]thiophene-2-carboxylic acid methyl ester Formula: C17H25NO5S2 MolecularWeight: 387.5141

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC(CCC1=CC=C(S1)C(=O)OC)CNC(=O)OC(C)(C)C

Isomeric SMILES

CC(=O)SC(CCC1=CC=C(S1)C(=O)OC)CNC(=O)OC(C)(C)C

InChI

InChI=1S/C17H25NO5S2/c1-11(19)24-13(10-18-16(21)23-17(2,3)4)7-6-12-8-9-14(25-12)15(20)22-5/h8-9,13H,6-7,10H2,1-5H3,(H,18,21)