dimethyl 2-bromanyl-2-[(Z)-2-[(S)-(4-methylphenyl)sulfinyl]-3-oxidanyl-pent-2-enyl]propanedioate

Systemtic Name: dimethyl 2-bromanyl-2-[(Z)-2-[(S)-(4-methylphenyl)sulfinyl]-3-oxidanyl-pent-2-enyl]propanedioate Openeye Name: dimethyl 2-bromo-2-[(Z)-3-hydroxy-2-[(S)-p-tolylsulfinyl]pent-2-enyl]propanedioate CAS Name: 2-bromo-2-[(Z)-3-hydroxy-2-[(S)-(4-methylphenyl)sulfinyl]pent-2-enyl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-bromo-2-[(Z)-3-hydroxy-2-[(S)-(4-methylphenyl)sulfinyl]pent-2-enyl]propanedioate Traditional Name: 2-bromo-2-[(Z)-3-hydroxy-2-[(S)-p-tolylsulfinyl]pent-2-enyl]malonic acid dimethyl ester Formula: C17H21BrO6S MolecularWeight: 433.31404

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=C(CC(C(=O)OC)(C(=O)OC)Br)S(=O)C1=CC=C(C=C1)C)O

Isomeric SMILES

CC/C(=C(\CC(C(=O)OC)(C(=O)OC)Br)/[S@@](=O)C1=CC=C(C=C1)C)/O

InChI

InChI=1S/C17H21BrO6S/c1-5-13(19)14(25(22)12-8-6-11(2)7-9-12)10-17(18,15(20)23-3)16(21)24-4/h6-9,19H,5,10H2,1-4H3/b14-13-/t25-/m0/s1