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

Systemtic Name: methyl 3-chloranyl-6-[2-(3-methoxy-4-nitro-pyrazol-1-yl)propanoylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-[2-(3-methoxy-4-nitro-pyrazol-1-yl)propanoylamino]benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[2-(3-methoxy-4-nitro-1-pyrazolyl)-1-oxopropyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-[2-(3-methoxy-4-nitropyrazol-1-yl)propanoylamino]-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-[2-(3-methoxy-4-nitro-pyrazol-1-yl)propanoylamino]benzothiophene-2-carboxylic acid methyl ester Formula: C17H15ClN4O6S MolecularWeight: 438.8422

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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)OC)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)NC1=CC2=C(C=C1)C(=C(S2)C(=O)OC)Cl)N3C=C(C(=N3)OC)[N+](=O)[O-]

InChI

InChI=1S/C17H15ClN4O6S/c1-8(21-7-11(22(25)26)16(20-21)27-2)15(23)19-9-4-5-10-12(6-9)29-14(13(10)18)17(24)28-3/h4-8H,1-3H3,(H,19,23)