diethyl 2-benzamido-2-(2-phenylsulfanylethyl)propanedioate

Systemtic Name: diethyl 2-benzamido-2-(2-phenylsulfanylethyl)propanedioate Openeye Name: diethyl 2-benzamido-2-(2-phenylsulfanylethyl)propanedioate CAS Name: 2-benzamido-2-[2-(phenylthio)ethyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-benzamido-2-(2-phenylsulfanylethyl)propanedioate Traditional Name: 2-benzamido-2-[2-(phenylthio)ethyl]malonic acid diethyl ester Formula: C22H25NO5S MolecularWeight: 415.5026

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCSC1=CC=CC=C1)(C(=O)OCC)NC(=O)C2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C(CCSC1=CC=CC=C1)(C(=O)OCC)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C22H25NO5S/c1-3-27-20(25)22(21(26)28-4-2,15-16-29-18-13-9-6-10-14-18)23-19(24)17-11-7-5-8-12-17/h5-14H,3-4,15-16H2,1-2H3,(H,23,24)