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

Systemtic Name: methyl 3-chloranyl-6-[2-(3-methoxy-4-nitro-pyrazol-1-yl)ethanoylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-[[2-(3-methoxy-4-nitro-pyrazol-1-yl)acetyl]amino]benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[2-(3-methoxy-4-nitro-1-pyrazolyl)-1-oxoethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-[[2-(3-methoxy-4-nitropyrazol-1-yl)acetyl]amino]-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-[[2-(3-methoxy-4-nitro-pyrazol-1-yl)acetyl]amino]benzothiophene-2-carboxylic acid methyl ester Formula: C16H13ClN4O6S MolecularWeight: 424.81562

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13ClN4O6S/c1-26-15-10(21(24)25)6-20(19-15)7-12(22)18-8-3-4-9-11(5-8)28-14(13(9)17)16(23)27-2/h3-6H,7H2,1-2H3,(H,18,22)