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

Systemtic Name: (2-methoxy-5-methyl-phenyl)methyl 2-(4-nitrophenyl)sulfanylethanoate Openeye Name: (2-methoxy-5-methyl-phenyl)methyl 2-(4-nitrophenyl)sulfanylacetate CAS Name: 2-[(4-nitrophenyl)thio]acetic acid (2-methoxy-5-methylphenyl)methyl ester IUPAC Name: (2-methoxy-5-methylphenyl)methyl 2-(4-nitrophenyl)sulfanylacetate Traditional Name: 2-[(4-nitrophenyl)thio]acetic acid (2-methoxy-5-methyl-benzyl) ester Formula: C17H17NO5S MolecularWeight: 347.38558

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)COC(=O)CSC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)OC)COC(=O)CSC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H17NO5S/c1-12-3-8-16(22-2)13(9-12)10-23-17(19)11-24-15-6-4-14(5-7-15)18(20)21/h3-9H,10-11H2,1-2H3