ethyl (2R)-2-[[5-[(4-methyl-2-nitro-phenoxy)methyl]furan-2-yl]carbonylamino]-3-sulfanyl-propanoate

Systemtic Name: ethyl (2R)-2-[[5-[(4-methyl-2-nitro-phenoxy)methyl]furan-2-yl]carbonylamino]-3-sulfanyl-propanoate Openeye Name: ethyl (2R)-2-[[5-[(4-methyl-2-nitro-phenoxy)methyl]furan-2-carbonyl]amino]-3-sulfanyl-propanoate CAS Name: (2R)-3-mercapto-2-[[[5-[(4-methyl-2-nitrophenoxy)methyl]-2-furanyl]-oxomethyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl (2R)-2-[[5-[(4-methyl-2-nitrophenoxy)methyl]furan-2-carbonyl]amino]-3-sulfanylpropanoate Traditional Name: (2R)-3-mercapto-2-[[5-[(4-methyl-2-nitro-phenoxy)methyl]-2-furoyl]amino]propionic acid ethyl ester Formula: C18H20N2O7S MolecularWeight: 408.4256

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N2O7S/c1-3-25-18(22)13(10-28)19-17(21)16-7-5-12(27-16)9-26-15-6-4-11(2)8-14(15)20(23)24/h4-8,13,28H,3,9-10H2,1-2H3,(H,19,21)/t13-/m0/s1