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

Systemtic Name: (1-azanyl-1-oxidanylidene-propan-2-yl) 3-methyl-1-[(4-methylphenyl)methyl]thieno[2,3-c]pyrazole-5-carboxylate Openeye Name: (2-amino-1-methyl-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 (1-amino-1-oxopropan-2-yl) ester IUPAC Name: (1-amino-1-oxopropan-2-yl) 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-1-methyl-ethyl) ester Formula: C18H19N3O3S MolecularWeight: 357.42676

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N3O3S/c1-10-4-6-13(7-5-10)9-21-17-14(11(2)20-21)8-15(25-17)18(23)24-12(3)16(19)22/h4-8,12H,9H2,1-3H3,(H2,19,22)