(2R)-2-[2-[(4-bromophenyl)amino]-2-oxidanylidene-ethyl]sulfanylbutanedioate

Systemtic Name: (2R)-2-[2-[(4-bromophenyl)amino]-2-oxidanylidene-ethyl]sulfanylbutanedioate Openeye Name: (2R)-2-[2-(4-bromoanilino)-2-oxo-ethyl]sulfanylbutanedioate CAS Name: (2R)-2-[[2-(4-bromoanilino)-2-oxoethyl]thio]butanedioate IUPAC Name: (2R)-2-[2-(4-bromoanilino)-2-oxoethyl]sulfanylbutanedioate Traditional Name: (2R)-2-[[2-(4-bromoanilino)-2-keto-ethyl]thio]succinate Formula: C12H10BrNO5S-2 MolecularWeight: 360.1805

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)CSC(CC(=O)[O-])C(=O)[O-])Br

Isomeric SMILES

C1=CC(=CC=C1NC(=O)CS[C@H](CC(=O)[O-])C(=O)[O-])Br

InChI

InChI=1S/C12H12BrNO5S/c13-7-1-3-8(4-2-7)14-10(15)6-20-9(12(18)19)5-11(16)17/h1-4,9H,5-6H2,(H,14,15)(H,16,17)(H,18,19)/p-2/t9-/m1/s1