ethyl 2-(4-chlorophenyl)-2-(5-ethanoyl-3-nitro-thiophen-2-yl)sulfanyl-ethanoate

Systemtic Name: ethyl 2-(4-chlorophenyl)-2-(5-ethanoyl-3-nitro-thiophen-2-yl)sulfanyl-ethanoate Openeye Name: ethyl 2-[(5-acetyl-3-nitro-2-thienyl)sulfanyl]-2-(4-chlorophenyl)acetate CAS Name: 2-[(5-acetyl-3-nitro-2-thiophenyl)thio]-2-(4-chlorophenyl)acetic acid ethyl ester IUPAC Name: ethyl 2-(5-acetyl-3-nitrothiophen-2-yl)sulfanyl-2-(4-chlorophenyl)acetate Traditional Name: 2-[(5-acetyl-3-nitro-2-thienyl)thio]-2-(4-chlorophenyl)acetic acid ethyl ester Formula: C16H14ClNO5S2 MolecularWeight: 399.86906

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1=CC=C(C=C1)Cl)SC2=C(C=C(S2)C(=O)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C(C1=CC=C(C=C1)Cl)SC2=C(C=C(S2)C(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C16H14ClNO5S2/c1-3-23-15(20)14(10-4-6-11(17)7-5-10)25-16-12(18(21)22)8-13(24-16)9(2)19/h4-8,14H,3H2,1-2H3