S-ethyl 2-[2-(4-nitrophenyl)ethylamino]-2-oxidanylidene-ethanethioate

Systemtic Name: S-ethyl 2-[2-(4-nitrophenyl)ethylamino]-2-oxidanylidene-ethanethioate Openeye Name: S-ethyl 2-[2-(4-nitrophenyl)ethylamino]-2-oxo-ethanethioate CAS Name: 2-[2-(4-nitrophenyl)ethylamino]-2-oxoethanethioic acid S-ethyl ester IUPAC Name: S-ethyl 2-[2-(4-nitrophenyl)ethylamino]-2-oxoethanethioate Traditional Name: 2-keto-2-[2-(4-nitrophenyl)ethylamino]ethanethioic acid S-ethyl ester Formula: C12H14N2O4S MolecularWeight: 284.30087

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Descriptors Computed from Structure

Canonical SMILES:

CCSC(=O)C(=O)NCCC1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

CCS[13C](=O)[13C](=O)NCCC1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C12H14N2O4S/c1-2-19-12(16)11(15)13-8-7-9-3-5-10(6-4-9)14(17)18/h3-6H,2,7-8H2,1H3,(H,13,15)/i11+1,12+1