2-[(3-methyl-1-phenyl-thieno[2,3-c]pyrazol-5-yl)carbonylamino]ethyl pyridine-4-carboxylate

Systemtic Name: 2-[(3-methyl-1-phenyl-thieno[2,3-c]pyrazol-5-yl)carbonylamino]ethyl pyridine-4-carboxylate Openeye Name: 2-[(3-methyl-1-phenyl-thieno[2,3-c]pyrazole-5-carbonyl)amino]ethyl pyridine-4-carboxylate CAS Name: 4-pyridinecarboxylic acid 2-[[(3-methyl-1-phenyl-5-thieno[2,3-c]pyrazolyl)-oxomethyl]amino]ethyl ester IUPAC Name: 2-[(3-methyl-1-phenylthieno[2,3-c]pyrazole-5-carbonyl)amino]ethyl pyridine-4-carboxylate Traditional Name: isonicotinic acid 2-[(3-methyl-1-phenyl-thieno[2,3-c]pyrazole-5-carbonyl)amino]ethyl ester Formula: C21H18N4O3S MolecularWeight: 406.45762

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C=C(S2)C(=O)NCCOC(=O)C3=CC=NC=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C2=C1C=C(S2)C(=O)NCCOC(=O)C3=CC=NC=C3)C4=CC=CC=C4

InChI

InChI=1S/C21H18N4O3S/c1-14-17-13-18(29-20(17)25(24-14)16-5-3-2-4-6-16)19(26)23-11-12-28-21(27)15-7-9-22-10-8-15/h2-10,13H,11-12H2,1H3,(H,23,26)