5-[5-(2-azanyl-3-oxidanyl-3-oxidanylidene-propyl)-2,3-bis(chloranyl)phenyl]thiophene-2-carboxylic acid

Systemtic Name: 5-[5-(2-azanyl-3-oxidanyl-3-oxidanylidene-propyl)-2,3-bis(chloranyl)phenyl]thiophene-2-carboxylic acid Openeye Name: 5-[5-(2-amino-3-hydroxy-3-oxo-propyl)-2,3-dichloro-phenyl]thiophene-2-carboxylic acid CAS Name: 5-[5-(2-amino-3-hydroxy-3-oxopropyl)-2,3-dichlorophenyl]-2-thiophenecarboxylic acid IUPAC Name: 5-[5-(2-amino-3-hydroxy-3-oxopropyl)-2,3-dichlorophenyl]thiophene-2-carboxylic acid Traditional Name: 5-[5-(2-amino-3-hydroxy-3-keto-propyl)-2,3-dichloro-phenyl]-2-thenoic acid Formula: C14H11Cl2NO4S MolecularWeight: 360.21244

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(SC(=C1)C(=O)O)C2=CC(=CC(=C2Cl)Cl)CC(C(=O)O)N

Isomeric SMILES

C1=C(SC(=C1)C(=O)O)C2=CC(=CC(=C2Cl)Cl)CC(C(=O)O)N

InChI

InChI=1S/C14H11Cl2NO4S/c15-8-4-6(5-9(17)13(18)19)3-7(12(8)16)10-1-2-11(22-10)14(20)21/h1-4,9H,5,17H2,(H,18,19)(H,20,21)