[2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] 2-[(5-chloranylthiophen-2-yl)methylsulfanyl]ethanoate

Systemtic Name: [2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] 2-[(5-chloranylthiophen-2-yl)methylsulfanyl]ethanoate Openeye Name: [2-(4-methyl-3-nitro-phenyl)-2-oxo-ethyl] 2-[(5-chloro-2-thienyl)methylsulfanyl]acetate CAS Name: 2-[(5-chloro-2-thiophenyl)methylthio]acetic acid [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] 2-[(5-chlorothiophen-2-yl)methylsulfanyl]acetate Traditional Name: 2-[(5-chloro-2-thienyl)methylthio]acetic acid [2-keto-2-(4-methyl-3-nitro-phenyl)ethyl] ester Formula: C16H14ClNO5S2 MolecularWeight: 399.86906

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)COC(=O)CSCC2=CC=C(S2)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)COC(=O)CSCC2=CC=C(S2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C16H14ClNO5S2/c1-10-2-3-11(6-13(10)18(21)22)14(19)7-23-16(20)9-24-8-12-4-5-15(17)25-12/h2-6H,7-9H2,1H3