2-azanyl-2-(5-bromanyl-2,3-dihydro-1H-inden-1-yl)-4-oxidanylidene-6-sulfanyl-hexanoic acid

Systemtic Name: 2-azanyl-2-(5-bromanyl-2,3-dihydro-1H-inden-1-yl)-4-oxidanylidene-6-sulfanyl-hexanoic acid Openeye Name: 2-amino-2-(5-bromoindan-1-yl)-4-oxo-6-sulfanyl-hexanoic acid CAS Name: 2-amino-2-(5-bromo-2,3-dihydro-1H-inden-1-yl)-6-mercapto-4-oxohexanoic acid IUPAC Name: 2-amino-2-(5-bromo-2,3-dihydro-1H-inden-1-yl)-4-oxo-6-sulfanylhexanoic acid Traditional Name: 2-amino-2-(5-bromoindan-1-yl)-4-keto-6-mercapto-hexanoic acid Formula: C15H18BrNO3S MolecularWeight: 372.27732

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1C(CC(=O)CCS)(C(=O)O)N)C=CC(=C2)Br

Isomeric SMILES

C1CC2=C(C1C(CC(=O)CCS)(C(=O)O)N)C=CC(=C2)Br

InChI

InChI=1S/C15H18BrNO3S/c16-10-2-3-12-9(7-10)1-4-13(12)15(17,14(19)20)8-11(18)5-6-21/h2-3,7,13,21H,1,4-6,8,17H2,(H,19,20)