ethyl 2-(2-ethoxycarbonylphenyl)sulfanyl-5-nitro-benzoate

Systemtic Name: ethyl 2-(2-ethoxycarbonylphenyl)sulfanyl-5-nitro-benzoate Openeye Name: ethyl 2-(2-ethoxycarbonylphenyl)sulfanyl-5-nitro-benzoate CAS Name: 2-[(2-ethoxycarbonylphenyl)thio]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 2-(2-ethoxycarbonylphenyl)sulfanyl-5-nitrobenzoate Traditional Name: 2-[(2-carbethoxyphenyl)thio]-5-nitro-benzoic acid ethyl ester Formula: C18H17NO6S MolecularWeight: 375.39568

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=C1SC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1SC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCC

InChI

InChI=1S/C18H17NO6S/c1-3-24-17(20)13-7-5-6-8-15(13)26-16-10-9-12(19(22)23)11-14(16)18(21)25-4-2/h5-11H,3-4H2,1-2H3