(2-oxidanylidene-2-thiophen-2-yl-ethyl) 4-(2-methoxyethylamino)-3-nitro-benzoate

Systemtic Name: (2-oxidanylidene-2-thiophen-2-yl-ethyl) 4-(2-methoxyethylamino)-3-nitro-benzoate Openeye Name: [2-oxo-2-(2-thienyl)ethyl] 4-(2-methoxyethylamino)-3-nitro-benzoate CAS Name: 4-(2-methoxyethylamino)-3-nitrobenzoic acid (2-oxo-2-thiophen-2-ylethyl) ester IUPAC Name: (2-oxo-2-thiophen-2-ylethyl) 4-(2-methoxyethylamino)-3-nitrobenzoate Traditional Name: 4-(2-methoxyethylamino)-3-nitro-benzoic acid [2-keto-2-(2-thienyl)ethyl] ester Formula: C16H16N2O6S MolecularWeight: 364.37304

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC1=C(C=C(C=C1)C(=O)OCC(=O)C2=CC=CS2)[N+](=O)[O-]

Isomeric SMILES

COCCNC1=C(C=C(C=C1)C(=O)OCC(=O)C2=CC=CS2)[N+](=O)[O-]

InChI

InChI=1S/C16H16N2O6S/c1-23-7-6-17-12-5-4-11(9-13(12)18(21)22)16(20)24-10-14(19)15-3-2-8-25-15/h2-5,8-9,17H,6-7,10H2,1H3