[2-[[2-(cyclopropylamino)-2-oxidanylidene-ethyl]-methyl-amino]-2-oxidanylidene-ethyl] 4-methylsulfanyl-3-nitro-benzoate

Systemtic Name: [2-[[2-(cyclopropylamino)-2-oxidanylidene-ethyl]-methyl-amino]-2-oxidanylidene-ethyl] 4-methylsulfanyl-3-nitro-benzoate Openeye Name: [2-[[2-(cyclopropylamino)-2-oxo-ethyl]-methyl-amino]-2-oxo-ethyl] 4-methylsulfanyl-3-nitro-benzoate CAS Name: 4-(methylthio)-3-nitrobenzoic acid [2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 4-methylsulfanyl-3-nitrobenzoate Traditional Name: 4-(methylthio)-3-nitro-benzoic acid [2-[[2-(cyclopropylamino)-2-keto-ethyl]-methyl-amino]-2-keto-ethyl] ester Formula: C16H19N3O6S MolecularWeight: 381.40356

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NC1CC1)C(=O)COC(=O)C2=CC(=C(C=C2)SC)[N+](=O)[O-]

Isomeric SMILES

CN(CC(=O)NC1CC1)C(=O)COC(=O)C2=CC(=C(C=C2)SC)[N+](=O)[O-]

InChI

InChI=1S/C16H19N3O6S/c1-18(8-14(20)17-11-4-5-11)15(21)9-25-16(22)10-3-6-13(26-2)12(7-10)19(23)24/h3,6-7,11H,4-5,8-9H2,1-2H3,(H,17,20)