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

Systemtic Name: methyl 3-chloranyl-6-[2-(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)propanoylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-[2-(4-chloro-3,5-dimethyl-pyrazol-1-yl)propanoylamino]benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[2-(4-chloro-3,5-dimethyl-1-pyrazolyl)-1-oxopropyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)propanoylamino]-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-[2-(4-chloro-3,5-dimethyl-pyrazol-1-yl)propanoylamino]benzothiophene-2-carboxylic acid methyl ester Formula: C18H17Cl2N3O3S MolecularWeight: 426.31688

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17Cl2N3O3S/c1-8-14(19)9(2)23(22-8)10(3)17(24)21-11-5-6-12-13(7-11)27-16(15(12)20)18(25)26-4/h5-7,10H,1-4H3,(H,21,24)