[2-(butylamino)-2-oxidanylidene-ethyl] 2-(4-nitrophenyl)sulfanylethanoate

Systemtic Name: [2-(butylamino)-2-oxidanylidene-ethyl] 2-(4-nitrophenyl)sulfanylethanoate Openeye Name: [2-(butylamino)-2-oxo-ethyl] 2-(4-nitrophenyl)sulfanylacetate CAS Name: 2-[(4-nitrophenyl)thio]acetic acid [2-(butylamino)-2-oxoethyl] ester IUPAC Name: [2-(butylamino)-2-oxoethyl] 2-(4-nitrophenyl)sulfanylacetate Traditional Name: 2-[(4-nitrophenyl)thio]acetic acid [2-(butylamino)-2-keto-ethyl] ester Formula: C14H18N2O5S MolecularWeight: 326.36812

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)COC(=O)CSC1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

CCCCNC(=O)COC(=O)CSC1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C14H18N2O5S/c1-2-3-8-15-13(17)9-21-14(18)10-22-12-6-4-11(5-7-12)16(19)20/h4-7H,2-3,8-10H2,1H3,(H,15,17)