ethyl 2-[2-dimethylaminoethyl-[2-[(4-nitrophenyl)methylsulfanyl]phenyl]amino]-2-oxidanylidene-ethanoate

Systemtic Name: ethyl 2-[2-dimethylaminoethyl-[2-[(4-nitrophenyl)methylsulfanyl]phenyl]amino]-2-oxidanylidene-ethanoate Openeye Name: ethyl 2-[N-(2-dimethylaminoethyl)-2-[(4-nitrophenyl)methylsulfanyl]anilino]-2-oxo-acetate CAS Name: 2-[N-(2-dimethylaminoethyl)-2-[(4-nitrophenyl)methylthio]anilino]-2-oxoacetic acid ethyl ester IUPAC Name: ethyl 2-[N-(2-dimethylaminoethyl)-2-[(4-nitrophenyl)methylsulfanyl]anilino]-2-oxoacetate Traditional Name: 2-[N-(2-dimethylaminoethyl)-2-[(4-nitrobenzyl)thio]anilino]-2-keto-acetic acid ethyl ester Formula: C21H25N3O5S MolecularWeight: 431.5053

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=O)N(CCN(C)C)C1=CC=CC=C1SCC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C(=O)N(CCN(C)C)C1=CC=CC=C1SCC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C21H25N3O5S/c1-4-29-21(26)20(25)23(14-13-22(2)3)18-7-5-6-8-19(18)30-15-16-9-11-17(12-10-16)24(27)28/h5-12H,4,13-15H2,1-3H3