methyl 2-[[2-(ethanoylsulfanylmethyl)-3-(3-nitrophenyl)propanoyl]-phenyl-amino]ethanoate

Systemtic Name: methyl 2-[[2-(ethanoylsulfanylmethyl)-3-(3-nitrophenyl)propanoyl]-phenyl-amino]ethanoate Openeye Name: methyl 2-(N-[2-(acetylsulfanylmethyl)-3-(3-nitrophenyl)propanoyl]anilino)acetate CAS Name: 2-(N-[2-[(acetylthio)methyl]-3-(3-nitrophenyl)-1-oxopropyl]anilino)acetic acid methyl ester IUPAC Name: methyl 2-(N-[2-(acetylsulfanylmethyl)-3-(3-nitrophenyl)propanoyl]anilino)acetate Traditional Name: 2-(N-[2-[(acetylthio)methyl]-3-(3-nitrophenyl)propanoyl]anilino)acetic acid methyl ester Formula: C21H22N2O6S MolecularWeight: 430.47418

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O6S/c1-15(24)30-14-17(11-16-7-6-10-19(12-16)23(27)28)21(26)22(13-20(25)29-2)18-8-4-3-5-9-18/h3-10,12,17H,11,13-14H2,1-2H3