ethyl (2R)-2-[[5-[(2-nitrophenoxy)methyl]furan-2-yl]carbonylamino]-3-sulfanyl-propanoate

Systemtic Name: ethyl (2R)-2-[[5-[(2-nitrophenoxy)methyl]furan-2-yl]carbonylamino]-3-sulfanyl-propanoate Openeye Name: ethyl (2R)-2-[[5-[(2-nitrophenoxy)methyl]furan-2-carbonyl]amino]-3-sulfanyl-propanoate CAS Name: (2R)-3-mercapto-2-[[[5-[(2-nitrophenoxy)methyl]-2-furanyl]-oxomethyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl (2R)-2-[[5-[(2-nitrophenoxy)methyl]furan-2-carbonyl]amino]-3-sulfanylpropanoate Traditional Name: (2R)-3-mercapto-2-[[5-[(2-nitrophenoxy)methyl]-2-furoyl]amino]propionic acid ethyl ester Formula: C17H18N2O7S MolecularWeight: 394.39902

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CS)NC(=O)C1=CC=C(O1)COC2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)[C@H](CS)NC(=O)C1=CC=C(O1)COC2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C17H18N2O7S/c1-2-24-17(21)12(10-27)18-16(20)15-8-7-11(26-15)9-25-14-6-4-3-5-13(14)19(22)23/h3-8,12,27H,2,9-10H2,1H3,(H,18,20)/t12-/m0/s1