diethyl 2-(2-dimethylaminoethyl)-2-[(4-methylsulfanylphenyl)methyl]propanedioate

Systemtic Name: diethyl 2-(2-dimethylaminoethyl)-2-[(4-methylsulfanylphenyl)methyl]propanedioate Openeye Name: diethyl 2-(2-dimethylaminoethyl)-2-[(4-methylsulfanylphenyl)methyl]propanedioate CAS Name: 2-(2-dimethylaminoethyl)-2-[[4-(methylthio)phenyl]methyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-(2-dimethylaminoethyl)-2-[(4-methylsulfanylphenyl)methyl]propanedioate Traditional Name: 2-(2-dimethylaminoethyl)-2-[4-(methylthio)benzyl]malonic acid diethyl ester Formula: C19H29NO4S MolecularWeight: 367.50286

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCN(C)C)(CC1=CC=C(C=C1)SC)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(CCN(C)C)(CC1=CC=C(C=C1)SC)C(=O)OCC

InChI

InChI=1S/C19H29NO4S/c1-6-23-17(21)19(12-13-20(3)4,18(22)24-7-2)14-15-8-10-16(25-5)11-9-15/h8-11H,6-7,12-14H2,1-5H3