methyl 3-chloranyl-6-[2-(5-methylpyrazol-1-yl)propanoylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-chloranyl-6-[2-(5-methylpyrazol-1-yl)propanoylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-[2-(5-methylpyrazol-1-yl)propanoylamino]benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[2-(5-methyl-1-pyrazolyl)-1-oxopropyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-[2-(5-methylpyrazol-1-yl)propanoylamino]-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-[2-(5-methylpyrazol-1-yl)propanoylamino]benzothiophene-2-carboxylic acid methyl ester Formula: C17H16ClN3O3S MolecularWeight: 377.84524

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=NN1C(C)C(=O)NC2=CC3=C(C=C2)C(=C(S3)C(=O)OC)Cl

Isomeric SMILES

CC1=CC=NN1C(C)C(=O)NC2=CC3=C(C=C2)C(=C(S3)C(=O)OC)Cl

InChI

InChI=1S/C17H16ClN3O3S/c1-9-6-7-19-21(9)10(2)16(22)20-11-4-5-12-13(8-11)25-15(14(12)18)17(23)24-3/h4-8,10H,1-3H3,(H,20,22)