[2-[tert-butyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl] 2-(4-nitrophenyl)sulfanylethanoate

Systemtic Name: [2-[tert-butyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl] 2-(4-nitrophenyl)sulfanylethanoate Openeye Name: [2-[benzyl(tert-butyl)amino]-2-oxo-ethyl] 2-(4-nitrophenyl)sulfanylacetate CAS Name: 2-[(4-nitrophenyl)thio]acetic acid [2-[tert-butyl-(phenylmethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[benzyl(tert-butyl)amino]-2-oxoethyl] 2-(4-nitrophenyl)sulfanylacetate Traditional Name: 2-[(4-nitrophenyl)thio]acetic acid [2-[benzyl(tert-butyl)amino]-2-keto-ethyl] ester Formula: C21H24N2O5S MolecularWeight: 416.49066

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N(CC1=CC=CC=C1)C(=O)COC(=O)CSC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)N(CC1=CC=CC=C1)C(=O)COC(=O)CSC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C21H24N2O5S/c1-21(2,3)22(13-16-7-5-4-6-8-16)19(24)14-28-20(25)15-29-18-11-9-17(10-12-18)23(26)27/h4-12H,13-15H2,1-3H3