[2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxidanylidene-ethyl] 2-(2-methylphenyl)sulfanylethanoate

Systemtic Name: [2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxidanylidene-ethyl] 2-(2-methylphenyl)sulfanylethanoate Openeye Name: [2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxo-ethyl] 2-(o-tolylsulfanyl)acetate CAS Name: 2-[(2-methylphenyl)thio]acetic acid [2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl] 2-(2-methylphenyl)sulfanylacetate Traditional Name: 2-(o-tolylthio)acetic acid [2-[2-(3,4-diethoxyphenyl)ethylamino]-2-keto-ethyl] ester Formula: C23H29NO5S MolecularWeight: 431.54506

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CCNC(=O)COC(=O)CSC2=CC=CC=C2C)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CCNC(=O)COC(=O)CSC2=CC=CC=C2C)OCC

InChI

InChI=1S/C23H29NO5S/c1-4-27-19-11-10-18(14-20(19)28-5-2)12-13-24-22(25)15-29-23(26)16-30-21-9-7-6-8-17(21)3/h6-11,14H,4-5,12-13,15-16H2,1-3H3,(H,24,25)