methyl 5-methyl-2-(2-nitrophenyl)sulfanyl-benzoate

Systemtic Name: methyl 5-methyl-2-(2-nitrophenyl)sulfanyl-benzoate Openeye Name: methyl 5-methyl-2-(2-nitrophenyl)sulfanyl-benzoate CAS Name: 5-methyl-2-[(2-nitrophenyl)thio]benzoic acid methyl ester IUPAC Name: methyl 5-methyl-2-(2-nitrophenyl)sulfanylbenzoate Traditional Name: 5-methyl-2-[(2-nitrophenyl)thio]benzoic acid methyl ester Formula: C15H13NO4S MolecularWeight: 303.33302

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)SC2=CC=CC=C2[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC1=CC(=C(C=C1)SC2=CC=CC=C2[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C15H13NO4S/c1-10-7-8-13(11(9-10)15(17)20-2)21-14-6-4-3-5-12(14)16(18)19/h3-9H,1-2H3