methyl 3-chloranyl-6-[(3-nitrophenyl)carbonylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-chloranyl-6-[(3-nitrophenyl)carbonylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-[(3-nitrobenzoyl)amino]benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[(3-nitrophenyl)-oxomethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-[(3-nitrobenzoyl)amino]-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-[(3-nitrobenzoyl)amino]benzothiophene-2-carboxylic acid methyl ester Formula: C17H11ClN2O5S MolecularWeight: 390.79764

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H11ClN2O5S/c1-25-17(22)15-14(18)12-6-5-10(8-13(12)26-15)19-16(21)9-3-2-4-11(7-9)20(23)24/h2-8H,1H3,(H,19,21)