[2-(cyclopropylamino)-2-oxidanylidene-ethyl] 5-nitro-1-benzothiophene-2-carboxylate

Systemtic Name: [2-(cyclopropylamino)-2-oxidanylidene-ethyl] 5-nitro-1-benzothiophene-2-carboxylate Openeye Name: [2-(cyclopropylamino)-2-oxo-ethyl] 5-nitrobenzothiophene-2-carboxylate CAS Name: 5-nitro-1-benzothiophene-2-carboxylic acid [2-(cyclopropylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclopropylamino)-2-oxoethyl] 5-nitro-1-benzothiophene-2-carboxylate Traditional Name: 5-nitrobenzothiophene-2-carboxylic acid [2-(cyclopropylamino)-2-keto-ethyl] ester Formula: C14H12N2O5S MolecularWeight: 320.32048

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)COC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

C1CC1NC(=O)COC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C14H12N2O5S/c17-13(15-9-1-2-9)7-21-14(18)12-6-8-5-10(16(19)20)3-4-11(8)22-12/h3-6,9H,1-2,7H2,(H,15,17)