[2-[ethyl-[2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl]amino]-2-oxidanylidene-ethyl] 1-phenylpyrazole-4-carboxylate

Systemtic Name: [2-[ethyl-[2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl]amino]-2-oxidanylidene-ethyl] 1-phenylpyrazole-4-carboxylate Openeye Name: [2-[ethyl-[2-oxo-2-(2-thienylmethylamino)ethyl]amino]-2-oxo-ethyl] 1-phenylpyrazole-4-carboxylate CAS Name: 1-phenyl-4-pyrazolecarboxylic acid [2-[ethyl-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[ethyl-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]amino]-2-oxoethyl] 1-phenylpyrazole-4-carboxylate Traditional Name: 1-phenylpyrazole-4-carboxylic acid [2-[ethyl-[2-keto-2-(2-thenylamino)ethyl]amino]-2-keto-ethyl] ester Formula: C21H22N4O4S MolecularWeight: 426.48878

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC(=O)NCC1=CC=CS1)C(=O)COC(=O)C2=CN(N=C2)C3=CC=CC=C3

Isomeric SMILES

CCN(CC(=O)NCC1=CC=CS1)C(=O)COC(=O)C2=CN(N=C2)C3=CC=CC=C3

InChI

InChI=1S/C21H22N4O4S/c1-2-24(14-19(26)22-12-18-9-6-10-30-18)20(27)15-29-21(28)16-11-23-25(13-16)17-7-4-3-5-8-17/h3-11,13H,2,12,14-15H2,1H3,(H,22,26)