methyl 3-chloranyl-6-[[5-(pyrazol-1-ylmethyl)furan-2-yl]carbonylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-chloranyl-6-[[5-(pyrazol-1-ylmethyl)furan-2-yl]carbonylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-[[5-(pyrazol-1-ylmethyl)furan-2-carbonyl]amino]benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[oxo-[5-(1-pyrazolylmethyl)-2-furanyl]methyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-[[5-(pyrazol-1-ylmethyl)furan-2-carbonyl]amino]-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-[[5-(pyrazol-1-ylmethyl)-2-furoyl]amino]benzothiophene-2-carboxylic acid methyl ester Formula: C19H14ClN3O4S MolecularWeight: 415.85016

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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(O3)CN4C=CC=N4)Cl

Isomeric SMILES

COC(=O)C1=C(C2=C(S1)C=C(C=C2)NC(=O)C3=CC=C(O3)CN4C=CC=N4)Cl

InChI

InChI=1S/C19H14ClN3O4S/c1-26-19(25)17-16(20)13-5-3-11(9-15(13)28-17)22-18(24)14-6-4-12(27-14)10-23-8-2-7-21-23/h2-9H,10H2,1H3,(H,22,24)