methyl 6-[[5-[(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)methyl]furan-2-yl]carbonylamino]-3-chloranyl-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 6-[[5-[(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)methyl]furan-2-yl]carbonylamino]-3-chloranyl-1-benzothiophene-2-carboxylate Openeye Name: methyl 6-[[5-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]furan-2-carbonyl]amino]-3-chloro-benzothiophene-2-carboxylate CAS Name: 6-[[[5-[(4-bromo-3,5-dimethyl-1-pyrazolyl)methyl]-2-furanyl]-oxomethyl]amino]-3-chloro-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 6-[[5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]furan-2-carbonyl]amino]-3-chloro-1-benzothiophene-2-carboxylate Traditional Name: 6-[[5-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]-2-furoyl]amino]-3-chloro-benzothiophene-2-carboxylic acid methyl ester Formula: C21H17BrClN3O4S MolecularWeight: 522.79938

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=C(O2)C(=O)NC3=CC4=C(C=C3)C(=C(S4)C(=O)OC)Cl)C)Br

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=C(O2)C(=O)NC3=CC4=C(C=C3)C(=C(S4)C(=O)OC)Cl)C)Br

InChI

InChI=1S/C21H17BrClN3O4S/c1-10-17(22)11(2)26(25-10)9-13-5-7-15(30-13)20(27)24-12-4-6-14-16(8-12)31-19(18(14)23)21(28)29-3/h4-8H,9H2,1-3H3,(H,24,27)