methyl 2-[[2-(ethanoylsulfanylmethyl)-3-phenyl-propanoyl]-(3-nitro-4-oxidanyl-phenyl)amino]ethanoate

Systemtic Name: methyl 2-[[2-(ethanoylsulfanylmethyl)-3-phenyl-propanoyl]-(3-nitro-4-oxidanyl-phenyl)amino]ethanoate Openeye Name: methyl 2-(N-[2-(acetylsulfanylmethyl)-3-phenyl-propanoyl]-4-hydroxy-3-nitro-anilino)acetate CAS Name: 2-(N-[2-[(acetylthio)methyl]-1-oxo-3-phenylpropyl]-4-hydroxy-3-nitroanilino)acetic acid methyl ester IUPAC Name: methyl 2-(N-[2-(acetylsulfanylmethyl)-3-phenylpropanoyl]-4-hydroxy-3-nitroanilino)acetate Traditional Name: 2-(N-[2-[(acetylthio)methyl]-3-phenyl-propanoyl]-4-hydroxy-3-nitro-anilino)acetic acid methyl ester Formula: C21H22N2O7S MolecularWeight: 446.47358

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(CC1=CC=CC=C1)C(=O)N(CC(=O)OC)C2=CC(=C(C=C2)O)[N+](=O)[O-]

Isomeric SMILES

CC(=O)SCC(CC1=CC=CC=C1)C(=O)N(CC(=O)OC)C2=CC(=C(C=C2)O)[N+](=O)[O-]

InChI

InChI=1S/C21H22N2O7S/c1-14(24)31-13-16(10-15-6-4-3-5-7-15)21(27)22(12-20(26)30-2)17-8-9-19(25)18(11-17)23(28)29/h3-9,11,16,25H,10,12-13H2,1-2H3