methyl 4-methyl-3-[[(2S)-2-(4-nitrophenyl)sulfanylpropanoyl]amino]benzoate

Systemtic Name: methyl 4-methyl-3-[[(2S)-2-(4-nitrophenyl)sulfanylpropanoyl]amino]benzoate Openeye Name: methyl 4-methyl-3-[[(2S)-2-(4-nitrophenyl)sulfanylpropanoyl]amino]benzoate CAS Name: 4-methyl-3-[[(2S)-2-[(4-nitrophenyl)thio]-1-oxopropyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-methyl-3-[[(2S)-2-(4-nitrophenyl)sulfanylpropanoyl]amino]benzoate Traditional Name: 4-methyl-3-[[(2S)-2-[(4-nitrophenyl)thio]propanoyl]amino]benzoic acid methyl ester Formula: C18H18N2O5S MolecularWeight: 374.41092

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)C(C)SC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)[C@H](C)SC2=CC=C(C=C2)[N+](=O)[O-]

InChI

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