[2-[(3-ethoxycarbonyl-5-ethyl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl] 5-propyl-1H-pyrazole-3-carboxylate

Systemtic Name: [2-[(3-ethoxycarbonyl-5-ethyl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl] 5-propyl-1H-pyrazole-3-carboxylate Openeye Name: [2-[(3-ethoxycarbonyl-5-ethyl-2-thienyl)amino]-2-oxo-ethyl] 5-propyl-1H-pyrazole-3-carboxylate CAS Name: 5-propyl-1H-pyrazole-3-carboxylic acid [2-[(3-ethoxycarbonyl-5-ethyl-2-thiophenyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-ethoxycarbonyl-5-ethylthiophen-2-yl)amino]-2-oxoethyl] 5-propyl-1H-pyrazole-3-carboxylate Traditional Name: 5-propyl-1H-pyrazole-3-carboxylic acid [2-[(3-carbethoxy-5-ethyl-2-thienyl)amino]-2-keto-ethyl] ester Formula: C18H23N3O5S MolecularWeight: 393.45732

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=NN1)C(=O)OCC(=O)NC2=C(C=C(S2)CC)C(=O)OCC

Isomeric SMILES

CCCC1=CC(=NN1)C(=O)OCC(=O)NC2=C(C=C(S2)CC)C(=O)OCC

InChI

InChI=1S/C18H23N3O5S/c1-4-7-11-8-14(21-20-11)18(24)26-10-15(22)19-16-13(17(23)25-6-3)9-12(5-2)27-16/h8-9H,4-7,10H2,1-3H3,(H,19,22)(H,20,21)