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

Systemtic Name: 5-[2-[(1-ethoxy-1-oxidanylidene-4-phenyl-butan-2-yl)amino]propanoyl]-4H-thieno[3,2-c]pyridine-6-carboxylic acid Openeye Name: 5-[2-[(1-ethoxycarbonyl-3-phenyl-propyl)amino]propanoyl]-4H-thieno[3,2-c]pyridine-6-carboxylic acid CAS Name: 5-[2-[(1-ethoxy-1-oxo-4-phenylbutan-2-yl)amino]-1-oxopropyl]-4H-thieno[3,2-c]pyridine-6-carboxylic acid IUPAC Name: 5-[2-[(1-ethoxy-1-oxo-4-phenylbutan-2-yl)amino]propanoyl]-4H-thieno[3,2-c]pyridine-6-carboxylic acid Traditional Name: 5-[2-[(1-carbethoxy-3-phenyl-propyl)amino]propanoyl]-4H-thieno[3,2-c]pyridine-6-carboxylic acid Formula: C23H26N2O5S MolecularWeight: 442.52794

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCC1=CC=CC=C1)NC(C)C(=O)N2CC3=C(C=C2C(=O)O)SC=C3

Isomeric SMILES

CCOC(=O)C(CCC1=CC=CC=C1)NC(C)C(=O)N2CC3=C(C=C2C(=O)O)SC=C3

InChI

InChI=1S/C23H26N2O5S/c1-3-30-23(29)18(10-9-16-7-5-4-6-8-16)24-15(2)21(26)25-14-17-11-12-31-20(17)13-19(25)22(27)28/h4-8,11-13,15,18,24H,3,9-10,14H2,1-2H3,(H,27,28)