methyl 3-chloranyl-6-[(3-methoxy-4-nitro-1H-pyrazol-5-yl)carbonylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-chloranyl-6-[(3-methoxy-4-nitro-1H-pyrazol-5-yl)carbonylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-[(3-methoxy-4-nitro-1H-pyrazole-5-carbonyl)amino]benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[(3-methoxy-4-nitro-1H-pyrazol-5-yl)-oxomethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-[(3-methoxy-4-nitro-1H-pyrazole-5-carbonyl)amino]-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-[(3-methoxy-4-nitro-1H-pyrazole-5-carbonyl)amino]benzothiophene-2-carboxylic acid methyl ester Formula: C15H11ClN4O6S MolecularWeight: 410.78904

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H11ClN4O6S/c1-25-14-11(20(23)24)10(18-19-14)13(21)17-6-3-4-7-8(5-6)27-12(9(7)16)15(22)26-2/h3-5H,1-2H3,(H,17,21)(H,18,19)