butoxycarbonyl 3-acetamidosulfanyl-2-[methyl-(4-nitrophenyl)amino]propanoate

Systemtic Name: butoxycarbonyl 3-acetamidosulfanyl-2-[methyl-(4-nitrophenyl)amino]propanoate Openeye Name: butoxycarbonyl 3-acetamidosulfanyl-2-(N-methyl-4-nitro-anilino)propanoate CAS Name: 3-(acetamidothio)-2-(N-methyl-4-nitroanilino)propanoic acid [butoxy(oxo)methyl] ester IUPAC Name: butoxycarbonyl 3-acetamidosulfanyl-2-(N-methyl-4-nitroanilino)propanoate Traditional Name: 3-(acetamidothio)-2-(N-methyl-4-nitro-anilino)propionic acid butoxycarbonyl ester Formula: C17H23N3O7S MolecularWeight: 413.44542

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)OC(=O)C(CSNC(=O)C)N(C)C1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

CCCCOC(=O)OC(=O)C(CSNC(=O)C)N(C)C1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C17H23N3O7S/c1-4-5-10-26-17(23)27-16(22)15(11-28-18-12(2)21)19(3)13-6-8-14(9-7-13)20(24)25/h6-9,15H,4-5,10-11H2,1-3H3,(H,18,21)