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

Systemtic Name: methyl 3-chloranyl-6-[[5-(furan-2-yl)-1H-pyrazol-3-yl]carbonylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-[[5-(2-furyl)-1H-pyrazole-3-carbonyl]amino]benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[[5-(2-furanyl)-1H-pyrazol-3-yl]-oxomethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-[[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]amino]-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-[[5-(2-furyl)-1H-pyrazole-3-carbonyl]amino]benzothiophene-2-carboxylic acid methyl ester Formula: C18H12ClN3O4S MolecularWeight: 401.82358

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=C(S1)C=C(C=C2)NC(=O)C3=NNC(=C3)C4=CC=CO4)Cl

Isomeric SMILES

COC(=O)C1=C(C2=C(S1)C=C(C=C2)NC(=O)C3=NNC(=C3)C4=CC=CO4)Cl

InChI

InChI=1S/C18H12ClN3O4S/c1-25-18(24)16-15(19)10-5-4-9(7-14(10)27-16)20-17(23)12-8-11(21-22-12)13-3-2-6-26-13/h2-8H,1H3,(H,20,23)(H,21,22)