ethyl 3-[(2-nitrophenyl)sulfanylmethyl]benzoate

Systemtic Name: ethyl 3-[(2-nitrophenyl)sulfanylmethyl]benzoate Openeye Name: ethyl 3-[(2-nitrophenyl)sulfanylmethyl]benzoate CAS Name: 3-[[(2-nitrophenyl)thio]methyl]benzoic acid ethyl ester IUPAC Name: ethyl 3-[(2-nitrophenyl)sulfanylmethyl]benzoate Traditional Name: 3-[[(2-nitrophenyl)thio]methyl]benzoic acid ethyl ester Formula: C16H15NO4S MolecularWeight: 317.3596

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)CSC2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)CSC2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C16H15NO4S/c1-2-21-16(18)13-7-5-6-12(10-13)11-22-15-9-4-3-8-14(15)17(19)20/h3-10H,2,11H2,1H3