methyl 3-chloranyl-6-[3-(4-iodanyl-3-methyl-pyrazol-1-yl)propanoylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-chloranyl-6-[3-(4-iodanyl-3-methyl-pyrazol-1-yl)propanoylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-[3-(4-iodo-3-methyl-pyrazol-1-yl)propanoylamino]benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[3-(4-iodo-3-methyl-1-pyrazolyl)-1-oxopropyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-[3-(4-iodo-3-methylpyrazol-1-yl)propanoylamino]-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-[3-(4-iodo-3-methyl-pyrazol-1-yl)propanoylamino]benzothiophene-2-carboxylic acid methyl ester Formula: C17H15ClIN3O3S MolecularWeight: 503.74177

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1I)CCC(=O)NC2=CC3=C(C=C2)C(=C(S3)C(=O)OC)Cl

Isomeric SMILES

CC1=NN(C=C1I)CCC(=O)NC2=CC3=C(C=C2)C(=C(S3)C(=O)OC)Cl

InChI

InChI=1S/C17H15ClIN3O3S/c1-9-12(19)8-22(21-9)6-5-14(23)20-10-3-4-11-13(7-10)26-16(15(11)18)17(24)25-2/h3-4,7-8H,5-6H2,1-2H3,(H,20,23)