(4,5-dimethoxy-2-methyl-phenyl)methyl 2-(4-nitrophenyl)sulfanylethanoate

Systemtic Name: (4,5-dimethoxy-2-methyl-phenyl)methyl 2-(4-nitrophenyl)sulfanylethanoate Openeye Name: (4,5-dimethoxy-2-methyl-phenyl)methyl 2-(4-nitrophenyl)sulfanylacetate CAS Name: 2-[(4-nitrophenyl)thio]acetic acid (4,5-dimethoxy-2-methylphenyl)methyl ester IUPAC Name: (4,5-dimethoxy-2-methylphenyl)methyl 2-(4-nitrophenyl)sulfanylacetate Traditional Name: 2-[(4-nitrophenyl)thio]acetic acid (4,5-dimethoxy-2-methyl-benzyl) ester Formula: C18H19NO6S MolecularWeight: 377.41156

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1COC(=O)CSC2=CC=C(C=C2)[N+](=O)[O-])OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1COC(=O)CSC2=CC=C(C=C2)[N+](=O)[O-])OC)OC

InChI

InChI=1S/C18H19NO6S/c1-12-8-16(23-2)17(24-3)9-13(12)10-25-18(20)11-26-15-6-4-14(5-7-15)19(21)22/h4-9H,10-11H2,1-3H3