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

Systemtic Name: (2-azanyl-2-oxidanylidene-ethyl) 3-methyl-1-[(4-methylphenyl)methyl]thieno[2,3-c]pyrazole-5-carboxylate Openeye Name: (2-amino-2-oxo-ethyl) 3-methyl-1-(p-tolylmethyl)thieno[2,3-c]pyrazole-5-carboxylate CAS Name: 3-methyl-1-[(4-methylphenyl)methyl]-5-thieno[2,3-c]pyrazolecarboxylic acid (2-amino-2-oxoethyl) ester IUPAC Name: (2-amino-2-oxoethyl) 3-methyl-1-[(4-methylphenyl)methyl]thieno[2,3-c]pyrazole-5-carboxylate Traditional Name: 3-methyl-1-(4-methylbenzyl)thieno[2,3-c]pyrazole-5-carboxylic acid (2-amino-2-keto-ethyl) ester Formula: C17H17N3O3S MolecularWeight: 343.40018

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C3=C(C=C(S3)C(=O)OCC(=O)N)C(=N2)C

Isomeric SMILES

CC1=CC=C(C=C1)CN2C3=C(C=C(S3)C(=O)OCC(=O)N)C(=N2)C

InChI

InChI=1S/C17H17N3O3S/c1-10-3-5-12(6-4-10)8-20-16-13(11(2)19-20)7-14(24-16)17(22)23-9-15(18)21/h3-7H,8-9H2,1-2H3,(H2,18,21)