(5-ethanoyl-2-methoxy-phenyl)methyl 2-(4-nitrophenyl)sulfanylethanoate

Systemtic Name: (5-ethanoyl-2-methoxy-phenyl)methyl 2-(4-nitrophenyl)sulfanylethanoate Openeye Name: (5-acetyl-2-methoxy-phenyl)methyl 2-(4-nitrophenyl)sulfanylacetate CAS Name: 2-[(4-nitrophenyl)thio]acetic acid (5-acetyl-2-methoxyphenyl)methyl ester IUPAC Name: (5-acetyl-2-methoxyphenyl)methyl 2-(4-nitrophenyl)sulfanylacetate Traditional Name: 2-[(4-nitrophenyl)thio]acetic acid (5-acetyl-2-methoxy-benzyl) ester Formula: C18H17NO6S MolecularWeight: 375.39568

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)OC)COC(=O)CSC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)OC)COC(=O)CSC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H17NO6S/c1-12(20)13-3-8-17(24-2)14(9-13)10-25-18(21)11-26-16-6-4-15(5-7-16)19(22)23/h3-9H,10-11H2,1-2H3