[2-[bis(phenylmethyl)amino]-2-oxidanylidene-ethyl] 3-methyl-1-phenyl-thieno[2,3-c]pyrazole-5-carboxylate

Systemtic Name: [2-[bis(phenylmethyl)amino]-2-oxidanylidene-ethyl] 3-methyl-1-phenyl-thieno[2,3-c]pyrazole-5-carboxylate Openeye Name: [2-(dibenzylamino)-2-oxo-ethyl] 3-methyl-1-phenyl-thieno[2,3-c]pyrazole-5-carboxylate CAS Name: 3-methyl-1-phenyl-5-thieno[2,3-c]pyrazolecarboxylic acid [2-[bis(phenylmethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-(dibenzylamino)-2-oxoethyl] 3-methyl-1-phenylthieno[2,3-c]pyrazole-5-carboxylate Traditional Name: 3-methyl-1-phenyl-thieno[2,3-c]pyrazole-5-carboxylic acid [2-(dibenzylamino)-2-keto-ethyl] ester Formula: C29H25N3O3S MolecularWeight: 495.5921

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C=C(S2)C(=O)OCC(=O)N(CC3=CC=CC=C3)CC4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC1=NN(C2=C1C=C(S2)C(=O)OCC(=O)N(CC3=CC=CC=C3)CC4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C29H25N3O3S/c1-21-25-17-26(36-28(25)32(30-21)24-15-9-4-10-16-24)29(34)35-20-27(33)31(18-22-11-5-2-6-12-22)19-23-13-7-3-8-14-23/h2-17H,18-20H2,1H3