S-ethyl (2E)-2-[(4-nitrophenyl)methylidene]-3-oxidanylidene-butanethioate

Systemtic Name: S-ethyl (2E)-2-[(4-nitrophenyl)methylidene]-3-oxidanylidene-butanethioate Openeye Name: S-ethyl (2E)-2-[(4-nitrophenyl)methylene]-3-oxo-butanethioate CAS Name: (2E)-2-[(4-nitrophenyl)methylidene]-3-oxobutanethioic acid S-ethyl ester IUPAC Name: S-ethyl (2E)-2-[(4-nitrophenyl)methylidene]-3-oxobutanethioate Traditional Name: (E)-2-acetyl-3-(4-nitrophenyl)prop-2-enethioic acid S-ethyl ester Formula: C13H13NO4S MolecularWeight: 279.31162

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Descriptors Computed from Structure

Canonical SMILES:

CCSC(=O)C(=CC1=CC=C(C=C1)[N+](=O)[O-])C(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C13H13NO4S/c1-3-19-13(16)12(9(2)15)8-10-4-6-11(7-5-10)14(17)18/h4-8H,3H2,1-2H3/b12-8+