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

Systemtic Name: [2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxidanylidene-ethyl] 2-(4-nitrophenyl)sulfanylethanoate Openeye Name: [2-[methyl(o-tolylmethyl)amino]-2-oxo-ethyl] 2-(4-nitrophenyl)sulfanylacetate CAS Name: 2-[(4-nitrophenyl)thio]acetic acid [2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl] 2-(4-nitrophenyl)sulfanylacetate Traditional Name: 2-[(4-nitrophenyl)thio]acetic acid [2-keto-2-[methyl-(2-methylbenzyl)amino]ethyl] ester Formula: C19H20N2O5S MolecularWeight: 388.4375

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN(C)C(=O)COC(=O)CSC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1CN(C)C(=O)COC(=O)CSC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C19H20N2O5S/c1-14-5-3-4-6-15(14)11-20(2)18(22)12-26-19(23)13-27-17-9-7-16(8-10-17)21(24)25/h3-10H,11-13H2,1-2H3