methyl 3-chloranyl-6-(pyrazolo[1,5-a]pyrimidin-3-ylcarbonylamino)-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-chloranyl-6-(pyrazolo[1,5-a]pyrimidin-3-ylcarbonylamino)-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[oxo(3-pyrazolo[1,5-a]pyrimidinyl)methyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)benzothiophene-2-carboxylic acid methyl ester Formula: C17H11ClN4O3S MolecularWeight: 386.81224

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=C(S1)C=C(C=C2)NC(=O)C3=C4N=CC=CN4N=C3)Cl

Isomeric SMILES

COC(=O)C1=C(C2=C(S1)C=C(C=C2)NC(=O)C3=C4N=CC=CN4N=C3)Cl

InChI

InChI=1S/C17H11ClN4O3S/c1-25-17(24)14-13(18)10-4-3-9(7-12(10)26-14)21-16(23)11-8-20-22-6-2-5-19-15(11)22/h2-8H,1H3,(H,21,23)