S-ethyl (2Z,4E)-2-(chloromethyl)-5-(2-nitrophenyl)penta-2,4-dienethioate

Systemtic Name: S-ethyl (2Z,4E)-2-(chloromethyl)-5-(2-nitrophenyl)penta-2,4-dienethioate Openeye Name: S-ethyl (2Z,4E)-2-(chloromethyl)-5-(2-nitrophenyl)penta-2,4-dienethioate CAS Name: (2Z,4E)-2-(chloromethyl)-5-(2-nitrophenyl)penta-2,4-dienethioic acid S-ethyl ester IUPAC Name: S-ethyl (2Z,4E)-2-(chloromethyl)-5-(2-nitrophenyl)penta-2,4-dienethioate Traditional Name: (2Z,4E)-2-(chloromethyl)-5-(2-nitrophenyl)penta-2,4-dienethioic acid S-ethyl ester Formula: C14H14ClNO3S MolecularWeight: 311.78386

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14ClNO3S/c1-2-20-14(17)12(10-15)8-5-7-11-6-3-4-9-13(11)16(18)19/h3-9H,2,10H2,1H3/b7-5+,12-8+