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

Systemtic Name: [2-[(2-methyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-[(5-chloranylthiophen-2-yl)methylsulfanyl]ethanoate Openeye Name: [2-(2-methyl-4-nitro-anilino)-2-oxo-ethyl] 2-[(5-chloro-2-thienyl)methylsulfanyl]acetate CAS Name: 2-[(5-chloro-2-thiophenyl)methylthio]acetic acid [2-(2-methyl-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-4-nitroanilino)-2-oxoethyl] 2-[(5-chlorothiophen-2-yl)methylsulfanyl]acetate Traditional Name: 2-[(5-chloro-2-thienyl)methylthio]acetic acid [2-keto-2-(2-methyl-4-nitro-anilino)ethyl] ester Formula: C16H15ClN2O5S2 MolecularWeight: 414.8837

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15ClN2O5S2/c1-10-6-11(19(22)23)2-4-13(10)18-15(20)7-24-16(21)9-25-8-12-3-5-14(17)26-12/h2-6H,7-9H2,1H3,(H,18,20)