[2-[(2-ethoxycarbonyl-5-phenyl-thiophen-3-yl)amino]-2-oxidanylidene-ethyl] 7-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate

Systemtic Name: [2-[(2-ethoxycarbonyl-5-phenyl-thiophen-3-yl)amino]-2-oxidanylidene-ethyl] 7-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate Openeye Name: [2-[(2-ethoxycarbonyl-5-phenyl-3-thienyl)amino]-2-oxo-ethyl] 7-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate CAS Name: 7-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid [2-[(2-ethoxycarbonyl-5-phenyl-3-thiophenyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(2-ethoxycarbonyl-5-phenylthiophen-3-yl)amino]-2-oxoethyl] 7-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate Traditional Name: 7-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid [2-[(2-carbethoxy-5-phenyl-3-thienyl)amino]-2-keto-ethyl] ester Formula: C23H21N5O5S MolecularWeight: 479.50834

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=NC2=NC=NN12)C(=O)OCC(=O)NC3=C(SC(=C3)C4=CC=CC=C4)C(=O)OCC

Isomeric SMILES

CCC1=C(C=NC2=NC=NN12)C(=O)OCC(=O)NC3=C(SC(=C3)C4=CC=CC=C4)C(=O)OCC

InChI

InChI=1S/C23H21N5O5S/c1-3-17-15(11-24-23-25-13-26-28(17)23)21(30)33-12-19(29)27-16-10-18(14-8-6-5-7-9-14)34-20(16)22(31)32-4-2/h5-11,13H,3-4,12H2,1-2H3,(H,27,29)