(2-oxidanylidene-2-thiophen-2-yl-ethyl) 5-ethoxy-4-methoxy-2-nitro-benzoate

Systemtic Name: (2-oxidanylidene-2-thiophen-2-yl-ethyl) 5-ethoxy-4-methoxy-2-nitro-benzoate Openeye Name: [2-oxo-2-(2-thienyl)ethyl] 5-ethoxy-4-methoxy-2-nitro-benzoate CAS Name: 5-ethoxy-4-methoxy-2-nitrobenzoic acid (2-oxo-2-thiophen-2-ylethyl) ester IUPAC Name: (2-oxo-2-thiophen-2-ylethyl) 5-ethoxy-4-methoxy-2-nitrobenzoate Traditional Name: 5-ethoxy-4-methoxy-2-nitro-benzoic acid [2-keto-2-(2-thienyl)ethyl] ester Formula: C16H15NO7S MolecularWeight: 365.3578

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)C(=O)OCC(=O)C2=CC=CS2)[N+](=O)[O-])OC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)C(=O)OCC(=O)C2=CC=CS2)[N+](=O)[O-])OC

InChI

InChI=1S/C16H15NO7S/c1-3-23-14-7-10(11(17(20)21)8-13(14)22-2)16(19)24-9-12(18)15-5-4-6-25-15/h4-8H,3,9H2,1-2H3