8-[(2-methylpropan-2-yl)oxycarbonyl]-1-phenyl-4H-thiochromeno[4,3-c]pyrazole-3-carboxylic acid

Systemtic Name: 8-[(2-methylpropan-2-yl)oxycarbonyl]-1-phenyl-4H-thiochromeno[4,3-c]pyrazole-3-carboxylic acid Openeye Name: 8-tert-butoxycarbonyl-1-phenyl-4H-thiochromeno[4,3-c]pyrazole-3-carboxylic acid CAS Name: 8-[(2-methylpropan-2-yl)oxy-oxomethyl]-1-phenyl-4H-thiochromeno[4,3-c]pyrazole-3-carboxylic acid IUPAC Name: 8-[(2-methylpropan-2-yl)oxycarbonyl]-1-phenyl-4H-thiochromeno[4,3-c]pyrazole-3-carboxylic acid Traditional Name: 8-tert-butoxycarbonyl-1-phenyl-4H-thiochromeno[4,3-c]pyrazole-3-carboxylic acid Formula: C22H20N2O4S MolecularWeight: 408.4702

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=CC2=C(C=C1)SCC3=C2N(N=C3C(=O)O)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)C1=CC2=C(C=C1)SCC3=C2N(N=C3C(=O)O)C4=CC=CC=C4

InChI

InChI=1S/C22H20N2O4S/c1-22(2,3)28-21(27)13-9-10-17-15(11-13)19-16(12-29-17)18(20(25)26)23-24(19)14-7-5-4-6-8-14/h4-11H,12H2,1-3H3,(H,25,26)