ethyl 4-[(2-ethoxycarbonylphenyl)sulfanylmethyl]-3-nitro-benzoate

Systemtic Name: ethyl 4-[(2-ethoxycarbonylphenyl)sulfanylmethyl]-3-nitro-benzoate Openeye Name: ethyl 4-[(2-ethoxycarbonylphenyl)sulfanylmethyl]-3-nitro-benzoate CAS Name: 4-[[(2-ethoxycarbonylphenyl)thio]methyl]-3-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 4-[(2-ethoxycarbonylphenyl)sulfanylmethyl]-3-nitrobenzoate Traditional Name: 4-[[(2-carbethoxyphenyl)thio]methyl]-3-nitro-benzoic acid ethyl ester Formula: C19H19NO6S MolecularWeight: 389.42226

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)CSC2=CC=CC=C2C(=O)OCC)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)CSC2=CC=CC=C2C(=O)OCC)[N+](=O)[O-]

InChI

InChI=1S/C19H19NO6S/c1-3-25-18(21)13-9-10-14(16(11-13)20(23)24)12-27-17-8-6-5-7-15(17)19(22)26-4-2/h5-11H,3-4,12H2,1-2H3