[2-(methylamino)-2-oxidanylidene-1-thiophen-2-yl-ethyl] 4-nitrobenzoate

Systemtic Name: [2-(methylamino)-2-oxidanylidene-1-thiophen-2-yl-ethyl] 4-nitrobenzoate Openeye Name: [2-(methylamino)-2-oxo-1-(2-thienyl)ethyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [2-(methylamino)-2-oxo-1-thiophen-2-ylethyl] ester IUPAC Name: [2-(methylamino)-2-oxo-1-thiophen-2-ylethyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [2-keto-2-(methylamino)-1-(2-thienyl)ethyl] ester Formula: C14H12N2O5S MolecularWeight: 320.32048

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C(C1=CC=CS1)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CNC(=O)C(C1=CC=CS1)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H12N2O5S/c1-15-13(17)12(11-3-2-8-22-11)21-14(18)9-4-6-10(7-5-9)16(19)20/h2-8,12H,1H3,(H,15,17)