[2-[(3-methoxyphenyl)methylamino]-2-oxidanylidene-ethyl] 2-(4-methylsulfanyl-3-nitro-phenyl)carbonylbenzoate

Systemtic Name: [2-[(3-methoxyphenyl)methylamino]-2-oxidanylidene-ethyl] 2-(4-methylsulfanyl-3-nitro-phenyl)carbonylbenzoate Openeye Name: [2-[(3-methoxyphenyl)methylamino]-2-oxo-ethyl] 2-(4-methylsulfanyl-3-nitro-benzoyl)benzoate CAS Name: 2-[[4-(methylthio)-3-nitrophenyl]-oxomethyl]benzoic acid [2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 2-(4-methylsulfanyl-3-nitrobenzoyl)benzoate Traditional Name: 2-[4-(methylthio)-3-nitro-benzoyl]benzoic acid [2-keto-2-(m-anisylamino)ethyl] ester Formula: C25H22N2O7S MolecularWeight: 494.51638

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CNC(=O)COC(=O)C2=CC=CC=C2C(=O)C3=CC(=C(C=C3)SC)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC(=C1)CNC(=O)COC(=O)C2=CC=CC=C2C(=O)C3=CC(=C(C=C3)SC)[N+](=O)[O-]

InChI

InChI=1S/C25H22N2O7S/c1-33-18-7-5-6-16(12-18)14-26-23(28)15-34-25(30)20-9-4-3-8-19(20)24(29)17-10-11-22(35-2)21(13-17)27(31)32/h3-13H,14-15H2,1-2H3,(H,26,28)