ethyl 2-[bis(methylsulfanyl)methylideneamino]-3-(4-nitrophenyl)-3-oxidanyl-propanoate

Systemtic Name: ethyl 2-[bis(methylsulfanyl)methylideneamino]-3-(4-nitrophenyl)-3-oxidanyl-propanoate Openeye Name: ethyl 2-[bis(methylsulfanyl)methyleneamino]-3-hydroxy-3-(4-nitrophenyl)propanoate CAS Name: 2-[bis(methylthio)methylideneamino]-3-hydroxy-3-(4-nitrophenyl)propanoic acid ethyl ester IUPAC Name: ethyl 2-[bis(methylsulfanyl)methylideneamino]-3-hydroxy-3-(4-nitrophenyl)propanoate Traditional Name: 2-[bis(methylthio)methyleneamino]-3-hydroxy-3-(4-nitrophenyl)propionic acid ethyl ester Formula: C14H18N2O5S2 MolecularWeight: 358.43312

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(C1=CC=C(C=C1)[N+](=O)[O-])O)N=C(SC)SC

Isomeric SMILES

CCOC(=O)C(C(C1=CC=C(C=C1)[N+](=O)[O-])O)N=C(SC)SC

InChI

InChI=1S/C14H18N2O5S2/c1-4-21-13(18)11(15-14(22-2)23-3)12(17)9-5-7-10(8-6-9)16(19)20/h5-8,11-12,17H,4H2,1-3H3