(2-azanyl-2-oxidanylidene-1-phenyl-ethyl) 1-[(4-chlorophenyl)methyl]-3-methyl-thieno[2,3-c]pyrazole-5-carboxylate

Systemtic Name: (2-azanyl-2-oxidanylidene-1-phenyl-ethyl) 1-[(4-chlorophenyl)methyl]-3-methyl-thieno[2,3-c]pyrazole-5-carboxylate Openeye Name: (2-amino-2-oxo-1-phenyl-ethyl) 1-[(4-chlorophenyl)methyl]-3-methyl-thieno[2,3-c]pyrazole-5-carboxylate CAS Name: 1-[(4-chlorophenyl)methyl]-3-methyl-5-thieno[2,3-c]pyrazolecarboxylic acid (2-amino-2-oxo-1-phenylethyl) ester IUPAC Name: (2-amino-2-oxo-1-phenylethyl) 1-[(4-chlorophenyl)methyl]-3-methylthieno[2,3-c]pyrazole-5-carboxylate Traditional Name: 1-(4-chlorobenzyl)-3-methyl-thieno[2,3-c]pyrazole-5-carboxylic acid (2-amino-2-keto-1-phenyl-ethyl) ester Formula: C22H18ClN3O3S MolecularWeight: 439.91462

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C=C(S2)C(=O)OC(C3=CC=CC=C3)C(=O)N)CC4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=NN(C2=C1C=C(S2)C(=O)OC(C3=CC=CC=C3)C(=O)N)CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H18ClN3O3S/c1-13-17-11-18(22(28)29-19(20(24)27)15-5-3-2-4-6-15)30-21(17)26(25-13)12-14-7-9-16(23)10-8-14/h2-11,19H,12H2,1H3,(H2,24,27)