methyl 3-[(2R)-1-[(2-methoxy-5-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanylpropanoate

Systemtic Name: methyl 3-[(2R)-1-[(2-methoxy-5-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanylpropanoate Openeye Name: methyl 3-[(1R)-2-(2-methoxy-5-nitro-anilino)-1-methyl-2-oxo-ethyl]sulfanylpropanoate CAS Name: 3-[[(2R)-1-(2-methoxy-5-nitroanilino)-1-oxopropan-2-yl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[(2R)-1-(2-methoxy-5-nitroanilino)-1-oxopropan-2-yl]sulfanylpropanoate Traditional Name: 3-[[(1R)-2-keto-2-(2-methoxy-5-nitro-anilino)-1-methyl-ethyl]thio]propionic acid methyl ester Formula: C14H18N2O6S MolecularWeight: 342.36752

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])OC)SCCC(=O)OC

Isomeric SMILES

C[C@H](C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])OC)SCCC(=O)OC

InChI

InChI=1S/C14H18N2O6S/c1-9(23-7-6-13(17)22-3)14(18)15-11-8-10(16(19)20)4-5-12(11)21-2/h4-5,8-9H,6-7H2,1-3H3,(H,15,18)/t9-/m1/s1