ethyl 2-methylsulfanyl-2-(4-nitrophenyl)-2-(phenylsulfonyl)ethanoate

Systemtic Name: ethyl 2-methylsulfanyl-2-(4-nitrophenyl)-2-(phenylsulfonyl)ethanoate Openeye Name: ethyl 2-(benzenesulfonyl)-2-methylsulfanyl-2-(4-nitrophenyl)acetate CAS Name: 2-(benzenesulfonyl)-2-(methylthio)-2-(4-nitrophenyl)acetic acid ethyl ester IUPAC Name: ethyl 2-(benzenesulfonyl)-2-methylsulfanyl-2-(4-nitrophenyl)acetate Traditional Name: 2-besyl-2-(methylthio)-2-(4-nitrophenyl)acetic acid ethyl ester Formula: C17H17NO6S2 MolecularWeight: 395.44998

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17NO6S2/c1-3-24-16(19)17(25-2,13-9-11-14(12-10-13)18(20)21)26(22,23)15-7-5-4-6-8-15/h4-12H,3H2,1-2H3