2-[2-[(4-bromophenyl)amino]-2-oxidanylidene-ethyl]sulfanylbutanedioic acid

Systemtic Name: 2-[2-[(4-bromophenyl)amino]-2-oxidanylidene-ethyl]sulfanylbutanedioic acid Openeye Name: 2-[2-(4-bromoanilino)-2-oxo-ethyl]sulfanylbutanedioic acid CAS Name: 2-[[2-(4-bromoanilino)-2-oxoethyl]thio]butanedioic acid IUPAC Name: 2-[2-(4-bromoanilino)-2-oxoethyl]sulfanylbutanedioic acid Traditional Name: 2-[[2-(4-bromoanilino)-2-keto-ethyl]thio]succinic acid Formula: C12H12BrNO5S MolecularWeight: 362.19638

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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)CSC(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)