2-azanyl-4-[2,4-bis(bromanyl)-4-cyano-cyclohexa-2,5-dien-1-yl]oxy-3-sulfanyl-butanoic acid

Systemtic Name: 2-azanyl-4-[2,4-bis(bromanyl)-4-cyano-cyclohexa-2,5-dien-1-yl]oxy-3-sulfanyl-butanoic acid Openeye Name: 2-amino-4-(2,4-dibromo-4-cyano-cyclohexa-2,5-dien-1-yl)oxy-3-sulfanyl-butanoic acid CAS Name: 2-amino-4-[(2,4-dibromo-4-cyano-1-cyclohexa-2,5-dienyl)oxy]-3-mercaptobutanoic acid IUPAC Name: 2-amino-4-(2,4-dibromo-4-cyanocyclohexa-2,5-dien-1-yl)oxy-3-sulfanylbutanoic acid Traditional Name: 2-amino-4-(2,4-dibromo-4-cyano-cyclohexa-2,5-dien-1-yl)oxy-3-mercapto-butyric acid Formula: C11H12Br2N2O3S MolecularWeight: 412.09758

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(C=C(C1OCC(C(C(=O)O)N)S)Br)(C#N)Br

Isomeric SMILES

C1=CC(C=C(C1OCC(C(C(=O)O)N)S)Br)(C#N)Br

InChI

InChI=1S/C11H12Br2N2O3S/c12-6-3-11(13,5-14)2-1-7(6)18-4-8(19)9(15)10(16)17/h1-3,7-9,19H,4,15H2,(H,16,17)