dimethyl 2-[(1R)-1-benzamido-3-tert-butylsulfanyl-3-oxidanylidene-propyl]propanedioate

Systemtic Name: dimethyl 2-[(1R)-1-benzamido-3-tert-butylsulfanyl-3-oxidanylidene-propyl]propanedioate Openeye Name: dimethyl 2-[(1R)-1-benzamido-3-tert-butylsulfanyl-3-oxo-propyl]propanedioate CAS Name: 2-[(1R)-1-benzamido-3-(tert-butylthio)-3-oxopropyl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[(1R)-1-benzamido-3-tert-butylsulfanyl-3-oxopropyl]propanedioate Traditional Name: 2-[(1R)-1-benzamido-3-(tert-butylthio)-3-keto-propyl]malonic acid dimethyl ester Formula: C19H25NO6S MolecularWeight: 395.4699

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)SC(=O)CC(C(C(=O)OC)C(=O)OC)NC(=O)C1=CC=CC=C1

Isomeric SMILES

CC(C)(C)SC(=O)C[C@H](C(C(=O)OC)C(=O)OC)NC(=O)C1=CC=CC=C1

InChI

InChI=1S/C19H25NO6S/c1-19(2,3)27-14(21)11-13(15(17(23)25-4)18(24)26-5)20-16(22)12-9-7-6-8-10-12/h6-10,13,15H,11H2,1-5H3,(H,20,22)/t13-/m1/s1