5-[2-[(1-oxidanyl-1-oxidanylidene-4-phenyl-butan-2-yl)amino]propanoyl]-4H-thieno[3,2-c]pyridine-6-carboxylic acid

Systemtic Name: 5-[2-[(1-oxidanyl-1-oxidanylidene-4-phenyl-butan-2-yl)amino]propanoyl]-4H-thieno[3,2-c]pyridine-6-carboxylic acid Openeye Name: 5-[2-[(1-carboxy-3-phenyl-propyl)amino]propanoyl]-4H-thieno[3,2-c]pyridine-6-carboxylic acid CAS Name: 5-[2-[(1-hydroxy-1-oxo-4-phenylbutan-2-yl)amino]-1-oxopropyl]-4H-thieno[3,2-c]pyridine-6-carboxylic acid IUPAC Name: 5-[2-[(1-hydroxy-1-oxo-4-phenylbutan-2-yl)amino]propanoyl]-4H-thieno[3,2-c]pyridine-6-carboxylic acid Traditional Name: 5-[2-[(1-carboxy-3-phenyl-propyl)amino]propanoyl]-4H-thieno[3,2-c]pyridine-6-carboxylic acid Formula: C21H22N2O5S MolecularWeight: 414.47478

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CC2=C(C=C1C(=O)O)SC=C2)NC(CCC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC(C(=O)N1CC2=C(C=C1C(=O)O)SC=C2)NC(CCC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C21H22N2O5S/c1-13(22-16(20(25)26)8-7-14-5-3-2-4-6-14)19(24)23-12-15-9-10-29-18(15)11-17(23)21(27)28/h2-6,9-11,13,16,22H,7-8,12H2,1H3,(H,25,26)(H,27,28)