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

Systemtic Name: [2-[(4-chlorophenyl)methyl-methyl-amino]-2-oxidanylidene-ethyl] 2-(4-nitrophenyl)sulfanylethanoate Openeye Name: [2-[(4-chlorophenyl)methyl-methyl-amino]-2-oxo-ethyl] 2-(4-nitrophenyl)sulfanylacetate CAS Name: 2-[(4-nitrophenyl)thio]acetic acid [2-[(4-chlorophenyl)methyl-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(4-chlorophenyl)methyl-methylamino]-2-oxoethyl] 2-(4-nitrophenyl)sulfanylacetate Traditional Name: 2-[(4-nitrophenyl)thio]acetic acid [2-[(4-chlorobenzyl)-methyl-amino]-2-keto-ethyl] ester Formula: C18H17ClN2O5S MolecularWeight: 408.85598

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17ClN2O5S/c1-20(10-13-2-4-14(19)5-3-13)17(22)11-26-18(23)12-27-16-8-6-15(7-9-16)21(24)25/h2-9H,10-12H2,1H3