ethyl (2S,3S)-2-[[(E)-(4-nitrophenyl)methylideneamino]oxymethyl]-3-oxidanyl-3-thiophen-3-yl-propanoate

Systemtic Name: ethyl (2S,3S)-2-[[(E)-(4-nitrophenyl)methylideneamino]oxymethyl]-3-oxidanyl-3-thiophen-3-yl-propanoate Openeye Name: ethyl (2S,3S)-3-hydroxy-2-[[(E)-(4-nitrophenyl)methyleneamino]oxymethyl]-3-(3-thienyl)propanoate CAS Name: (2S,3S)-3-hydroxy-2-[[(E)-(4-nitrophenyl)methylideneamino]oxymethyl]-3-(3-thiophenyl)propanoic acid ethyl ester IUPAC Name: ethyl (2S,3S)-3-hydroxy-2-[[(E)-(4-nitrophenyl)methylideneamino]oxymethyl]-3-thiophen-3-ylpropanoate Traditional Name: (2S,3S)-3-hydroxy-2-[[(E)-(4-nitrobenzylidene)amino]oxymethyl]-3-(3-thienyl)propionic acid ethyl ester Formula: C17H18N2O6S MolecularWeight: 378.39962

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CON=CC1=CC=C(C=C1)[N+](=O)[O-])C(C2=CSC=C2)O

Isomeric SMILES

CCOC(=O)[C@@H](CO/N=C/C1=CC=C(C=C1)[N+](=O)[O-])[C@@H](C2=CSC=C2)O

InChI

InChI=1S/C17H18N2O6S/c1-2-24-17(21)15(16(20)13-7-8-26-11-13)10-25-18-9-12-3-5-14(6-4-12)19(22)23/h3-9,11,15-16,20H,2,10H2,1H3/b18-9+/t15-,16+/m0/s1