6-[2-[(1-methoxy-1-oxidanylidene-4-phenyl-butan-2-yl)amino]propanoyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-7-carboxylic acid

Systemtic Name: 6-[2-[(1-methoxy-1-oxidanylidene-4-phenyl-butan-2-yl)amino]propanoyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-7-carboxylic acid Openeye Name: 6-[2-[(1-methoxycarbonyl-3-phenyl-propyl)amino]propanoyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-7-carboxylic acid CAS Name: 6-[2-[(1-methoxy-1-oxo-4-phenylbutan-2-yl)amino]-1-oxopropyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-7-carboxylic acid IUPAC Name: 6-[2-[(1-methoxy-1-oxo-4-phenylbutan-2-yl)amino]propanoyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-7-carboxylic acid Traditional Name: 6-[2-[(1-carbomethoxy-3-phenyl-propyl)amino]propanoyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-7-carboxylic acid Formula: C22H26N2O5S MolecularWeight: 430.51724

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCC2=C(C1C(=O)O)SC=C2)NC(CCC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CC(C(=O)N1CCC2=C(C1C(=O)O)SC=C2)NC(CCC3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C22H26N2O5S/c1-14(23-17(22(28)29-2)9-8-15-6-4-3-5-7-15)20(25)24-12-10-16-11-13-30-19(16)18(24)21(26)27/h3-7,11,13-14,17-18,23H,8-10,12H2,1-2H3,(H,26,27)