5-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]sulfanylindazole-1-carboxylic acid

Systemtic Name: 5-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]sulfanylindazole-1-carboxylic acid Openeye Name: 5-(1-tert-butoxycarbonylpyrrolidin-3-yl)sulfanylindazole-1-carboxylic acid CAS Name: 5-[[1-[(2-methylpropan-2-yl)oxy-oxomethyl]-3-pyrrolidinyl]thio]-1-indazolecarboxylic acid IUPAC Name: 5-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]sulfanylindazole-1-carboxylic acid Traditional Name: 5-[(1-tert-butoxycarbonylpyrrolidin-3-yl)thio]indazole-1-carboxylic acid Formula: C17H21N3O4S MolecularWeight: 363.43134

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(C1)SC2=CC3=C(C=C2)N(N=C3)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(C1)SC2=CC3=C(C=C2)N(N=C3)C(=O)O

InChI

InChI=1S/C17H21N3O4S/c1-17(2,3)24-16(23)19-7-6-13(10-19)25-12-4-5-14-11(8-12)9-18-20(14)15(21)22/h4-5,8-9,13H,6-7,10H2,1-3H3,(H,21,22)