[2-(5-methylthiophen-2-yl)-2-oxidanylidene-ethyl] 5-ethoxy-4-methoxy-2-nitro-benzoate

Systemtic Name: [2-(5-methylthiophen-2-yl)-2-oxidanylidene-ethyl] 5-ethoxy-4-methoxy-2-nitro-benzoate Openeye Name: [2-(5-methyl-2-thienyl)-2-oxo-ethyl] 5-ethoxy-4-methoxy-2-nitro-benzoate CAS Name: 5-ethoxy-4-methoxy-2-nitrobenzoic acid [2-(5-methyl-2-thiophenyl)-2-oxoethyl] ester IUPAC Name: [2-(5-methylthiophen-2-yl)-2-oxoethyl] 5-ethoxy-4-methoxy-2-nitrobenzoate Traditional Name: 5-ethoxy-4-methoxy-2-nitro-benzoic acid [2-keto-2-(5-methyl-2-thienyl)ethyl] ester Formula: C17H17NO7S MolecularWeight: 379.38438

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)C(=O)OCC(=O)C2=CC=C(S2)C)[N+](=O)[O-])OC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)C(=O)OCC(=O)C2=CC=C(S2)C)[N+](=O)[O-])OC

InChI

InChI=1S/C17H17NO7S/c1-4-24-15-7-11(12(18(21)22)8-14(15)23-3)17(20)25-9-13(19)16-6-5-10(2)26-16/h5-8H,4,9H2,1-3H3