methyl 3-chloranyl-6-[[1-[(2-nitrophenoxy)methyl]pyrazol-3-yl]carbonylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-chloranyl-6-[[1-[(2-nitrophenoxy)methyl]pyrazol-3-yl]carbonylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-[[1-[(2-nitrophenoxy)methyl]pyrazole-3-carbonyl]amino]benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[[1-[(2-nitrophenoxy)methyl]-3-pyrazolyl]-oxomethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-[[1-[(2-nitrophenoxy)methyl]pyrazole-3-carbonyl]amino]-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-[[1-[(2-nitrophenoxy)methyl]pyrazole-3-carbonyl]amino]benzothiophene-2-carboxylic acid methyl ester Formula: C21H15ClN4O6S MolecularWeight: 486.885

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=C(S1)C=C(C=C2)NC(=O)C3=NN(C=C3)COC4=CC=CC=C4[N+](=O)[O-])Cl

Isomeric SMILES

COC(=O)C1=C(C2=C(S1)C=C(C=C2)NC(=O)C3=NN(C=C3)COC4=CC=CC=C4[N+](=O)[O-])Cl

InChI

InChI=1S/C21H15ClN4O6S/c1-31-21(28)19-18(22)13-7-6-12(10-17(13)33-19)23-20(27)14-8-9-25(24-14)11-32-16-5-3-2-4-15(16)26(29)30/h2-10H,11H2,1H3,(H,23,27)