5-[3-ethanoylsulfanyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]thiophene-2-carboxylic acid

Systemtic Name: 5-[3-ethanoylsulfanyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]thiophene-2-carboxylic acid Openeye Name: 5-[3-acetylsulfanyl-4-(tert-butoxycarbonylamino)butyl]thiophene-2-carboxylic acid CAS Name: 5-[3-(acetylthio)-4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]butyl]-2-thiophenecarboxylic acid IUPAC Name: 5-[3-acetylsulfanyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]thiophene-2-carboxylic acid Traditional Name: 5-[3-(acetylthio)-4-(tert-butoxycarbonylamino)butyl]-2-thenoic acid Formula: C16H23NO5S2 MolecularWeight: 373.48752

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23NO5S2/c1-10(18)23-12(9-17-15(21)22-16(2,3)4)6-5-11-7-8-13(24-11)14(19)20/h7-8,12H,5-6,9H2,1-4H3,(H,17,21)(H,19,20)