S-(4-acetamido-3-nitro-phenyl) ethanethioate

Systemtic Name: S-(4-acetamido-3-nitro-phenyl) ethanethioate Openeye Name: S-(4-acetamido-3-nitro-phenyl) ethanethioate CAS Name: ethanethioic acid S-(4-acetamido-3-nitrophenyl) ester IUPAC Name: S-(4-acetamido-3-nitrophenyl) ethanethioate Traditional Name: ethanethioic acid S-(4-acetamido-3-nitro-phenyl) ester Formula: C10H10N2O4S MolecularWeight: 254.2624

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=C(C=C1)SC(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC(=O)NC1=C(C=C(C=C1)SC(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C10H10N2O4S/c1-6(13)11-9-4-3-8(17-7(2)14)5-10(9)12(15)16/h3-5H,1-2H3,(H,11,13)