methyl 2-[[4-[(4-methyl-3-nitro-phenyl)carbonylamino]phenyl]methylsulfanyl]ethanoate

Systemtic Name: methyl 2-[[4-[(4-methyl-3-nitro-phenyl)carbonylamino]phenyl]methylsulfanyl]ethanoate Openeye Name: methyl 2-[[4-[(4-methyl-3-nitro-benzoyl)amino]phenyl]methylsulfanyl]acetate CAS Name: 2-[[4-[[(4-methyl-3-nitrophenyl)-oxomethyl]amino]phenyl]methylthio]acetic acid methyl ester IUPAC Name: methyl 2-[[4-[(4-methyl-3-nitrobenzoyl)amino]phenyl]methylsulfanyl]acetate Traditional Name: 2-[[4-[(4-methyl-3-nitro-benzoyl)amino]benzyl]thio]acetic 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)NC2=CC=C(C=C2)CSCC(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)CSCC(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C18H18N2O5S/c1-12-3-6-14(9-16(12)20(23)24)18(22)19-15-7-4-13(5-8-15)10-26-11-17(21)25-2/h3-9H,10-11H2,1-2H3,(H,19,22)