ethyl 4-(4-methylphenyl)sulfanyl-3-nitro-benzoate

Systemtic Name: ethyl 4-(4-methylphenyl)sulfanyl-3-nitro-benzoate Openeye Name: ethyl 3-nitro-4-(p-tolylsulfanyl)benzoate CAS Name: 4-[(4-methylphenyl)thio]-3-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 4-(4-methylphenyl)sulfanyl-3-nitrobenzoate Traditional Name: 3-nitro-4-(p-tolylthio)benzoic acid ethyl ester Formula: C16H15NO4S MolecularWeight: 317.3596

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15NO4S/c1-3-21-16(18)12-6-9-15(14(10-12)17(19)20)22-13-7-4-11(2)5-8-13/h4-10H,3H2,1-2H3