diethyl 2-acetamido-2-[(4-sulfanylphenyl)methyl]propanedioate

Systemtic Name: diethyl 2-acetamido-2-[(4-sulfanylphenyl)methyl]propanedioate Openeye Name: diethyl 2-acetamido-2-[(4-sulfanylphenyl)methyl]propanedioate CAS Name: 2-acetamido-2-[(4-mercaptophenyl)methyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-acetamido-2-[(4-sulfanylphenyl)methyl]propanedioate Traditional Name: 2-acetamido-2-(4-mercaptobenzyl)malonic acid diethyl ester Formula: C16H21NO5S MolecularWeight: 339.40664

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=C(C=C1)S)(C(=O)OCC)NC(=O)C

Isomeric SMILES

CCOC(=O)C(CC1=CC=C(C=C1)S)(C(=O)OCC)NC(=O)C

InChI

InChI=1S/C16H21NO5S/c1-4-21-14(19)16(17-11(3)18,15(20)22-5-2)10-12-6-8-13(23)9-7-12/h6-9,23H,4-5,10H2,1-3H3,(H,17,18)