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

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

COC1=NN(C=C1[N+](=O)[O-])CCC(=O)NC2=CC3=C(C=C2)C(=C(S3)C(=O)OC)Cl

Isomeric SMILES

COC1=NN(C=C1[N+](=O)[O-])CCC(=O)NC2=CC3=C(C=C2)C(=C(S3)C(=O)OC)Cl

InChI

InChI=1S/C17H15ClN4O6S/c1-27-16-11(22(25)26)8-21(20-16)6-5-13(23)19-9-3-4-10-12(7-9)29-15(14(10)18)17(24)28-2/h3-4,7-8H,5-6H2,1-2H3,(H,19,23)