methyl 3-chloranyl-6-[[4-[(4-chloranylpyrazol-1-yl)methyl]phenyl]carbonylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-chloranyl-6-[[4-[(4-chloranylpyrazol-1-yl)methyl]phenyl]carbonylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-[[4-[(4-chloropyrazol-1-yl)methyl]benzoyl]amino]benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[[4-[(4-chloro-1-pyrazolyl)methyl]phenyl]-oxomethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-[[4-[(4-chloropyrazol-1-yl)methyl]benzoyl]amino]-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-[[4-[(4-chloropyrazol-1-yl)methyl]benzoyl]amino]benzothiophene-2-carboxylic acid methyl ester Formula: C21H15Cl2N3O3S MolecularWeight: 460.3331

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=C(S1)C=C(C=C2)NC(=O)C3=CC=C(C=C3)CN4C=C(C=N4)Cl)Cl

Isomeric SMILES

COC(=O)C1=C(C2=C(S1)C=C(C=C2)NC(=O)C3=CC=C(C=C3)CN4C=C(C=N4)Cl)Cl

InChI

InChI=1S/C21H15Cl2N3O3S/c1-29-21(28)19-18(23)16-7-6-15(8-17(16)30-19)25-20(27)13-4-2-12(3-5-13)10-26-11-14(22)9-24-26/h2-9,11H,10H2,1H3,(H,25,27)