(3-oxidanylidenebenzo[f]chromen-1-yl)methyl 3-methyl-1-phenyl-thieno[2,3-c]pyrazole-5-carboxylate

Systemtic Name: (3-oxidanylidenebenzo[f]chromen-1-yl)methyl 3-methyl-1-phenyl-thieno[2,3-c]pyrazole-5-carboxylate Openeye Name: (3-oxobenzo[f]chromen-1-yl)methyl 3-methyl-1-phenyl-thieno[2,3-c]pyrazole-5-carboxylate CAS Name: 3-methyl-1-phenyl-5-thieno[2,3-c]pyrazolecarboxylic acid (3-oxo-1-benzo[f][1]benzopyranyl)methyl ester IUPAC Name: (3-oxobenzo[f]chromen-1-yl)methyl 3-methyl-1-phenylthieno[2,3-c]pyrazole-5-carboxylate Traditional Name: 3-methyl-1-phenyl-thieno[2,3-c]pyrazole-5-carboxylic acid (3-ketobenzo[f]chromen-1-yl)methyl ester Formula: C27H18N2O4S MolecularWeight: 466.50782

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C=C(S2)C(=O)OCC3=CC(=O)OC4=C3C5=CC=CC=C5C=C4)C6=CC=CC=C6

Isomeric SMILES

CC1=NN(C2=C1C=C(S2)C(=O)OCC3=CC(=O)OC4=C3C5=CC=CC=C5C=C4)C6=CC=CC=C6

InChI

InChI=1S/C27H18N2O4S/c1-16-21-14-23(34-26(21)29(28-16)19-8-3-2-4-9-19)27(31)32-15-18-13-24(30)33-22-12-11-17-7-5-6-10-20(17)25(18)22/h2-14H,15H2,1H3