[(3S)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 3-methyl-1-[(4-methylphenyl)methyl]thieno[2,3-c]pyrazole-5-carboxylate

Systemtic Name: [(3S)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 3-methyl-1-[(4-methylphenyl)methyl]thieno[2,3-c]pyrazole-5-carboxylate Openeye Name: [(3S)-3-cyano-4-imino-2-oxo-pentyl] 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 [(3S)-3-cyano-4-imino-2-oxopentyl] ester IUPAC Name: [(3S)-3-cyano-4-imino-2-oxopentyl] 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 [(3S)-3-cyano-4-imino-2-keto-pentyl] ester Formula: C21H20N4O3S MolecularWeight: 408.4735

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC=C(C=C1)CN2C3=C(C=C(S3)C(=O)OCC(=O)[C@H](C#N)C(=N)C)C(=N2)C

InChI

InChI=1S/C21H20N4O3S/c1-12-4-6-15(7-5-12)10-25-20-16(14(3)24-25)8-19(29-20)21(27)28-11-18(26)17(9-22)13(2)23/h4-8,17,23H,10-11H2,1-3H3/t17-/m1/s1