[4-(4-nitrophenyl)sulfanylphenyl]methyl 2-benzamidoethanoate

Systemtic Name: [4-(4-nitrophenyl)sulfanylphenyl]methyl 2-benzamidoethanoate Openeye Name: [4-(4-nitrophenyl)sulfanylphenyl]methyl 2-benzamidoacetate CAS Name: 2-benzamidoacetic acid [4-[(4-nitrophenyl)thio]phenyl]methyl ester IUPAC Name: [4-(4-nitrophenyl)sulfanylphenyl]methyl 2-benzamidoacetate Traditional Name: 2-benzamidoacetic acid [4-[(4-nitrophenyl)thio]benzyl] ester Formula: C22H18N2O5S MolecularWeight: 422.45372

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NCC(=O)OCC2=CC=C(C=C2)SC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NCC(=O)OCC2=CC=C(C=C2)SC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H18N2O5S/c25-21(14-23-22(26)17-4-2-1-3-5-17)29-15-16-6-10-19(11-7-16)30-20-12-8-18(9-13-20)24(27)28/h1-13H,14-15H2,(H,23,26)