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

Systemtic Name: [2-[(4-ethoxyphenyl)methyl-methyl-amino]-2-oxidanylidene-ethyl] 2-(4-nitrophenyl)sulfanylethanoate Openeye Name: [2-[(4-ethoxyphenyl)methyl-methyl-amino]-2-oxo-ethyl] 2-(4-nitrophenyl)sulfanylacetate CAS Name: 2-[(4-nitrophenyl)thio]acetic acid [2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl] 2-(4-nitrophenyl)sulfanylacetate Traditional Name: 2-[(4-nitrophenyl)thio]acetic acid [2-[(4-ethoxybenzyl)-methyl-amino]-2-keto-ethyl] ester Formula: C20H22N2O6S MolecularWeight: 418.46348

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CN(C)C(=O)COC(=O)CSC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)CN(C)C(=O)COC(=O)CSC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C20H22N2O6S/c1-3-27-17-8-4-15(5-9-17)12-21(2)19(23)13-28-20(24)14-29-18-10-6-16(7-11-18)22(25)26/h4-11H,3,12-14H2,1-2H3