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

Systemtic Name: methyl 3-chloranyl-6-[2-(4-chloranylpyrazol-1-yl)propanoylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-[2-(4-chloropyrazol-1-yl)propanoylamino]benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[2-(4-chloro-1-pyrazolyl)-1-oxopropyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-[2-(4-chloropyrazol-1-yl)propanoylamino]-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-[2-(4-chloropyrazol-1-yl)propanoylamino]benzothiophene-2-carboxylic acid methyl ester Formula: C16H13Cl2N3O3S MolecularWeight: 398.26372

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(C=C1)C(=C(S2)C(=O)OC)Cl)N3C=C(C=N3)Cl

Isomeric SMILES

CC(C(=O)NC1=CC2=C(C=C1)C(=C(S2)C(=O)OC)Cl)N3C=C(C=N3)Cl

InChI

InChI=1S/C16H13Cl2N3O3S/c1-8(21-7-9(17)6-19-21)15(22)20-10-3-4-11-12(5-10)25-14(13(11)18)16(23)24-2/h3-8H,1-2H3,(H,20,22)