dimethyl 2-(2-methylsulfanylethyl)-2-(C-phenylcarbonimidoyl)pentanedioate

Systemtic Name: dimethyl 2-(2-methylsulfanylethyl)-2-(C-phenylcarbonimidoyl)pentanedioate Openeye Name: dimethyl 2-(benzenecarboximidoyl)-2-(2-methylsulfanylethyl)pentanedioate CAS Name: 2-[imino(phenyl)methyl]-2-[2-(methylthio)ethyl]pentanedioic acid dimethyl ester IUPAC Name: dimethyl 2-(benzenecarboximidoyl)-2-(2-methylsulfanylethyl)pentanedioate Traditional Name: 2-benzimidoyl-2-[2-(methylthio)ethyl]glutaric acid dimethyl ester Formula: C17H23NO4S MolecularWeight: 337.43382

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC(CCSC)(C(=N)C1=CC=CC=C1)C(=O)OC

Isomeric SMILES

COC(=O)CCC(CCSC)(C(=N)C1=CC=CC=C1)C(=O)OC

InChI

InChI=1S/C17H23NO4S/c1-21-14(19)9-10-17(11-12-23-3,16(20)22-2)15(18)13-7-5-4-6-8-13/h4-8,18H,9-12H2,1-3H3