methyl 6-methyl-2-[(3-methyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)methylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate

Systemtic Name: methyl 6-methyl-2-[(3-methyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)methylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate Openeye Name: methyl 6-methyl-2-[(3-methyl-5-oxo-1-phenyl-pyrazol-4-ylidene)methylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate CAS Name: 6-methyl-2-[(3-methyl-5-oxo-1-phenyl-4-pyrazolylidene)methylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid methyl ester IUPAC Name: methyl 6-methyl-2-[(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)methylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate Traditional Name: 2-[(5-keto-3-methyl-1-phenyl-2-pyrazolin-4-ylidene)methylamino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid methyl ester Formula: C21H22N4O3S MolecularWeight: 410.48938

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CNC2=C(C3=C(S2)CN(CC3)C)C(=O)OC)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=O)C1=CNC2=C(C3=C(S2)CN(CC3)C)C(=O)OC)C4=CC=CC=C4

InChI

InChI=1S/C21H22N4O3S/c1-13-16(20(26)25(23-13)14-7-5-4-6-8-14)11-22-19-18(21(27)28-3)15-9-10-24(2)12-17(15)29-19/h4-8,11,22H,9-10,12H2,1-3H3