5-[3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]propylsulfanyl]thiophene-2-carboxylic acid

Systemtic Name: 5-[3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]propylsulfanyl]thiophene-2-carboxylic acid Openeye Name: 5-[3-(1-tert-butoxycarbonyl-4-piperidyl)propylsulfanyl]thiophene-2-carboxylic acid CAS Name: 5-[3-[1-[(2-methylpropan-2-yl)oxy-oxomethyl]-4-piperidinyl]propylthio]-2-thiophenecarboxylic acid IUPAC Name: 5-[3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]propylsulfanyl]thiophene-2-carboxylic acid Traditional Name: 5-[3-(1-tert-butoxycarbonyl-4-piperidyl)propylthio]-2-thenoic acid Formula: C18H27NO4S2 MolecularWeight: 385.54128

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)CCCSC2=CC=C(S2)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)CCCSC2=CC=C(S2)C(=O)O

InChI

InChI=1S/C18H27NO4S2/c1-18(2,3)23-17(22)19-10-8-13(9-11-19)5-4-12-24-15-7-6-14(25-15)16(20)21/h6-7,13H,4-5,8-12H2,1-3H3,(H,20,21)