ethyl 4-[[(2S)-2-(4-nitrophenyl)sulfanylpropanoyl]amino]benzoate

Systemtic Name: ethyl 4-[[(2S)-2-(4-nitrophenyl)sulfanylpropanoyl]amino]benzoate Openeye Name: ethyl 4-[[(2S)-2-(4-nitrophenyl)sulfanylpropanoyl]amino]benzoate CAS Name: 4-[[(2S)-2-[(4-nitrophenyl)thio]-1-oxopropyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[(2S)-2-(4-nitrophenyl)sulfanylpropanoyl]amino]benzoate Traditional Name: 4-[[(2S)-2-[(4-nitrophenyl)thio]propanoyl]amino]benzoic acid ethyl ester Formula: C18H18N2O5S MolecularWeight: 374.41092

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C(C)SC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)[C@H](C)SC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H18N2O5S/c1-3-25-18(22)13-4-6-14(7-5-13)19-17(21)12(2)26-16-10-8-15(9-11-16)20(23)24/h4-12H,3H2,1-2H3,(H,19,21)/t12-/m0/s1