methyl 3-chloranyl-6-[(7-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)carbonylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-chloranyl-6-[(7-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)carbonylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-[[7-(2-thienyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[oxo-(7-thiophen-2-yl-3-pyrazolo[1,5-a]pyrimidinyl)methyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-[(7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-[[7-(2-thienyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]benzothiophene-2-carboxylic acid methyl ester Formula: C21H13ClN4O3S2 MolecularWeight: 468.93592

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=C(S1)C=C(C=C2)NC(=O)C3=C4N=CC=C(N4N=C3)C5=CC=CS5)Cl

Isomeric SMILES

COC(=O)C1=C(C2=C(S1)C=C(C=C2)NC(=O)C3=C4N=CC=C(N4N=C3)C5=CC=CS5)Cl

InChI

InChI=1S/C21H13ClN4O3S2/c1-29-21(28)18-17(22)12-5-4-11(9-16(12)31-18)25-20(27)13-10-24-26-14(6-7-23-19(13)26)15-3-2-8-30-15/h2-10H,1H3,(H,25,27)