(3-methylphenyl) 2-(4-nitrophenyl)sulfanylethanoate

Systemtic Name: (3-methylphenyl) 2-(4-nitrophenyl)sulfanylethanoate Openeye Name: m-tolyl 2-(4-nitrophenyl)sulfanylacetate CAS Name: 2-[(4-nitrophenyl)thio]acetic acid (3-methylphenyl) ester IUPAC Name: (3-methylphenyl) 2-(4-nitrophenyl)sulfanylacetate Traditional Name: 2-[(4-nitrophenyl)thio]acetic acid m-tolyl ester Formula: C15H13NO4S MolecularWeight: 303.33302

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H13NO4S/c1-11-3-2-4-13(9-11)20-15(17)10-21-14-7-5-12(6-8-14)16(18)19/h2-9H,10H2,1H3