methyl 2-[[2-[3-[(4-nitrophenyl)carbonylamino]phenyl]sulfanyl-2-phenyl-ethanoyl]amino]benzoate

Systemtic Name: methyl 2-[[2-[3-[(4-nitrophenyl)carbonylamino]phenyl]sulfanyl-2-phenyl-ethanoyl]amino]benzoate Openeye Name: methyl 2-[[2-[3-[(4-nitrobenzoyl)amino]phenyl]sulfanyl-2-phenyl-acetyl]amino]benzoate CAS Name: 2-[[2-[[3-[[(4-nitrophenyl)-oxomethyl]amino]phenyl]thio]-1-oxo-2-phenylethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-[3-[(4-nitrobenzoyl)amino]phenyl]sulfanyl-2-phenylacetyl]amino]benzoate Traditional Name: 2-[[2-[[3-[(4-nitrobenzoyl)amino]phenyl]thio]-2-phenyl-acetyl]amino]benzoic acid methyl ester Formula: C29H23N3O6S MolecularWeight: 541.57442

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=O)C(C2=CC=CC=C2)SC3=CC=CC(=C3)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=O)C(C2=CC=CC=C2)SC3=CC=CC(=C3)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C29H23N3O6S/c1-38-29(35)24-12-5-6-13-25(24)31-28(34)26(19-8-3-2-4-9-19)39-23-11-7-10-21(18-23)30-27(33)20-14-16-22(17-15-20)32(36)37/h2-18,26H,1H3,(H,30,33)(H,31,34)