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

Systemtic Name: [2-[(3-ethoxycarbonyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxidanylidene-ethyl] 7-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate Openeye Name: [2-[(3-ethoxycarbonyl-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)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-[(3-ethoxycarbonyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-ethoxycarbonyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-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-[(3-carbethoxy-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-2-keto-ethyl] ester Formula: C22H25N5O5S MolecularWeight: 471.5294

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=NC2=NC=NN12)C(=O)OCC(=O)NC3=C(C4=C(S3)CC(CC4)C)C(=O)OCC

Isomeric SMILES

CCC1=C(C=NC2=NC=NN12)C(=O)OCC(=O)NC3=C(C4=C(S3)CC(CC4)C)C(=O)OCC

InChI

InChI=1S/C22H25N5O5S/c1-4-15-14(9-23-22-24-11-25-27(15)22)20(29)32-10-17(28)26-19-18(21(30)31-5-2)13-7-6-12(3)8-16(13)33-19/h9,11-12H,4-8,10H2,1-3H3,(H,26,28)