ethyl (2R,3S)-2-[2-(4-bromophenyl)sulfanyl-2-oxidanylidene-ethyl]-3-methanoyl-hexanoate

Systemtic Name: ethyl (2R,3S)-2-[2-(4-bromophenyl)sulfanyl-2-oxidanylidene-ethyl]-3-methanoyl-hexanoate Openeye Name: ethyl (2R,3S)-2-[2-(4-bromophenyl)sulfanyl-2-oxo-ethyl]-3-formyl-hexanoate CAS Name: (2R,3S)-2-[2-[(4-bromophenyl)thio]-2-oxoethyl]-3-formylhexanoic acid ethyl ester IUPAC Name: ethyl (2R,3S)-2-[2-(4-bromophenyl)sulfanyl-2-oxoethyl]-3-formylhexanoate Traditional Name: (2R,3S)-2-[2-[(4-bromophenyl)thio]-2-keto-ethyl]-3-formyl-hexanoic acid ethyl ester Formula: C17H21BrO4S MolecularWeight: 401.31524

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C=O)C(CC(=O)SC1=CC=C(C=C1)Br)C(=O)OCC

Isomeric SMILES

CCC[C@H](C=O)[C@@H](CC(=O)SC1=CC=C(C=C1)Br)C(=O)OCC

InChI

InChI=1S/C17H21BrO4S/c1-3-5-12(11-19)15(17(21)22-4-2)10-16(20)23-14-8-6-13(18)7-9-14/h6-9,11-12,15H,3-5,10H2,1-2H3/t12-,15-/m1/s1