S-[2-(3-nitrophenyl)ethyl] ethanethioate

Systemtic Name: S-[2-(3-nitrophenyl)ethyl] ethanethioate Openeye Name: S-[2-(3-nitrophenyl)ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-(3-nitrophenyl)ethyl] ester IUPAC Name: S-[2-(3-nitrophenyl)ethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-(3-nitrophenyl)ethyl] ester Formula: C10H11NO3S MolecularWeight: 225.26424

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCCC1=CC(=CC=C1)[N+](=O)[O-]

Isomeric SMILES

CC(=O)SCCC1=CC(=CC=C1)[N+](=O)[O-]

InChI

InChI=1S/C10H11NO3S/c1-8(12)15-6-5-9-3-2-4-10(7-9)11(13)14/h2-4,7H,5-6H2,1H3