(4-nitrophenyl)methyl 2-[2-[(4-butoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanylethanoate

Systemtic Name: (4-nitrophenyl)methyl 2-[2-[(4-butoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanylethanoate Openeye Name: (4-nitrophenyl)methyl 2-[2-(4-butoxyanilino)-2-oxo-ethyl]sulfanylacetate CAS Name: 2-[[2-(4-butoxyanilino)-2-oxoethyl]thio]acetic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-[2-(4-butoxyanilino)-2-oxoethyl]sulfanylacetate Traditional Name: 2-[[2-(4-butoxyanilino)-2-keto-ethyl]thio]acetic acid (4-nitrobenzyl) ester Formula: C21H24N2O6S MolecularWeight: 432.49006

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)NC(=O)CSCC(=O)OCC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCOC1=CC=C(C=C1)NC(=O)CSCC(=O)OCC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C21H24N2O6S/c1-2-3-12-28-19-10-6-17(7-11-19)22-20(24)14-30-15-21(25)29-13-16-4-8-18(9-5-16)23(26)27/h4-11H,2-3,12-15H2,1H3,(H,22,24)