propyl 4-[2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]ethanoylamino]benzoate

Systemtic Name: propyl 4-[2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]ethanoylamino]benzoate Openeye Name: propyl 4-[[2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]acetyl]amino]benzoate CAS Name: 4-[[2-[(4-methoxy-3-nitrophenyl)methylthio]-1-oxoethyl]amino]benzoic acid propyl ester IUPAC Name: propyl 4-[[2-[(4-methoxy-3-nitrophenyl)methylsulfanyl]acetyl]amino]benzoate Traditional Name: 4-[[2-[(4-methoxy-3-nitro-benzyl)thio]acetyl]amino]benzoic acid propyl ester Formula: C20H22N2O6S MolecularWeight: 418.46348

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC=C(C=C1)NC(=O)CSCC2=CC(=C(C=C2)OC)[N+](=O)[O-]

Isomeric SMILES

CCCOC(=O)C1=CC=C(C=C1)NC(=O)CSCC2=CC(=C(C=C2)OC)[N+](=O)[O-]

InChI

InChI=1S/C20H22N2O6S/c1-3-10-28-20(24)15-5-7-16(8-6-15)21-19(23)13-29-12-14-4-9-18(27-2)17(11-14)22(25)26/h4-9,11H,3,10,12-13H2,1-2H3,(H,21,23)