ethyl (4R)-4-[(S)-(4-bromophenyl)-oxidanyl-methyl]-5-ethylsulfanyl-5-oxidanylidene-pentanoate

Systemtic Name: ethyl (4R)-4-[(S)-(4-bromophenyl)-oxidanyl-methyl]-5-ethylsulfanyl-5-oxidanylidene-pentanoate Openeye Name: ethyl (4R)-4-[(S)-(4-bromophenyl)-hydroxy-methyl]-5-ethylsulfanyl-5-oxo-pentanoate CAS Name: (4R)-4-[(S)-(4-bromophenyl)-hydroxymethyl]-5-(ethylthio)-5-oxopentanoic acid ethyl ester IUPAC Name: ethyl (4R)-4-[(S)-(4-bromophenyl)-hydroxymethyl]-5-ethylsulfanyl-5-oxopentanoate Traditional Name: (4R)-4-[(S)-(4-bromophenyl)-hydroxy-methyl]-5-(ethylthio)-5-keto-valeric acid ethyl ester Formula: C16H21BrO4S MolecularWeight: 389.30454

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(C(C1=CC=C(C=C1)Br)O)C(=O)SCC

Isomeric SMILES

CCOC(=O)CC[C@H]([C@@H](C1=CC=C(C=C1)Br)O)C(=O)SCC

InChI

InChI=1S/C16H21BrO4S/c1-3-21-14(18)10-9-13(16(20)22-4-2)15(19)11-5-7-12(17)8-6-11/h5-8,13,15,19H,3-4,9-10H2,1-2H3/t13-,15-/m1/s1