methyl 3-acetamido-2,5-bis[(2-nitrophenyl)sulfanyl]benzoate

Systemtic Name: methyl 3-acetamido-2,5-bis[(2-nitrophenyl)sulfanyl]benzoate Openeye Name: methyl 3-acetamido-2,5-bis[(2-nitrophenyl)sulfanyl]benzoate CAS Name: 3-acetamido-2,5-bis[(2-nitrophenyl)thio]benzoic acid methyl ester IUPAC Name: methyl 3-acetamido-2,5-bis[(2-nitrophenyl)sulfanyl]benzoate Traditional Name: 3-acetamido-2,5-bis[(2-nitrophenyl)thio]benzoic acid methyl ester Formula: C22H17N3O7S2 MolecularWeight: 499.51628

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C(=CC(=C1)SC2=CC=CC=C2[N+](=O)[O-])C(=O)OC)SC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC(=O)NC1=C(C(=CC(=C1)SC2=CC=CC=C2[N+](=O)[O-])C(=O)OC)SC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C22H17N3O7S2/c1-13(26)23-16-12-14(33-19-9-5-3-7-17(19)24(28)29)11-15(22(27)32-2)21(16)34-20-10-6-4-8-18(20)25(30)31/h3-12H,1-2H3,(H,23,26)