(5-chloranyl-2-methoxy-phenyl)methyl 2-(4-aminocarbonyl-2-nitro-phenyl)sulfanylethanoate

Systemtic Name: (5-chloranyl-2-methoxy-phenyl)methyl 2-(4-aminocarbonyl-2-nitro-phenyl)sulfanylethanoate Openeye Name: (5-chloro-2-methoxy-phenyl)methyl 2-(4-carbamoyl-2-nitro-phenyl)sulfanylacetate CAS Name: 2-[(4-carbamoyl-2-nitrophenyl)thio]acetic acid (5-chloro-2-methoxyphenyl)methyl ester IUPAC Name: (5-chloro-2-methoxyphenyl)methyl 2-(4-carbamoyl-2-nitrophenyl)sulfanylacetate Traditional Name: 2-[(4-carbamoyl-2-nitro-phenyl)thio]acetic acid (5-chloro-2-methoxy-benzyl) ester Formula: C17H15ClN2O6S MolecularWeight: 410.8288

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)COC(=O)CSC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)COC(=O)CSC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C17H15ClN2O6S/c1-25-14-4-3-12(18)6-11(14)8-26-16(21)9-27-15-5-2-10(17(19)22)7-13(15)20(23)24/h2-7H,8-9H2,1H3,(H2,19,22)