(2-methoxyphenyl)methyl 2-(4-nitrophenyl)sulfanylethanoate

Systemtic Name: (2-methoxyphenyl)methyl 2-(4-nitrophenyl)sulfanylethanoate Openeye Name: (2-methoxyphenyl)methyl 2-(4-nitrophenyl)sulfanylacetate CAS Name: 2-[(4-nitrophenyl)thio]acetic acid (2-methoxyphenyl)methyl ester IUPAC Name: (2-methoxyphenyl)methyl 2-(4-nitrophenyl)sulfanylacetate Traditional Name: 2-[(4-nitrophenyl)thio]acetic acid o-anisyl ester Formula: C16H15NO5S MolecularWeight: 333.359

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1COC(=O)CSC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC=C1COC(=O)CSC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H15NO5S/c1-21-15-5-3-2-4-12(15)10-22-16(18)11-23-14-8-6-13(7-9-14)17(19)20/h2-9H,10-11H2,1H3