[2-[(4-ethoxy-3-methoxy-phenyl)methyl-ethyl-amino]-2-oxidanylidene-ethyl] 2-methylsulfanylbenzoate

Systemtic Name: [2-[(4-ethoxy-3-methoxy-phenyl)methyl-ethyl-amino]-2-oxidanylidene-ethyl] 2-methylsulfanylbenzoate Openeye Name: [2-[(4-ethoxy-3-methoxy-phenyl)methyl-ethyl-amino]-2-oxo-ethyl] 2-methylsulfanylbenzoate CAS Name: 2-(methylthio)benzoic acid [2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]-2-oxoethyl] 2-methylsulfanylbenzoate Traditional Name: 2-(methylthio)benzoic acid [2-[(4-ethoxy-3-methoxy-benzyl)-ethyl-amino]-2-keto-ethyl] ester Formula: C22H27NO5S MolecularWeight: 417.51848

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC(=C(C=C1)OCC)OC)C(=O)COC(=O)C2=CC=CC=C2SC

Isomeric SMILES

CCN(CC1=CC(=C(C=C1)OCC)OC)C(=O)COC(=O)C2=CC=CC=C2SC

InChI

InChI=1S/C22H27NO5S/c1-5-23(14-16-11-12-18(27-6-2)19(13-16)26-3)21(24)15-28-22(25)17-9-7-8-10-20(17)29-4/h7-13H,5-6,14-15H2,1-4H3