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

Systemtic Name: 5-[3-acetyloxy-2-[(1-ethoxy-1-oxidanylidene-4-phenyl-butan-2-yl)amino]propanoyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid Openeye Name: 5-[3-acetoxy-2-[(1-ethoxycarbonyl-3-phenyl-propyl)amino]propanoyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid CAS Name: 5-[3-acetyloxy-2-[(1-ethoxy-1-oxo-4-phenylbutan-2-yl)amino]-1-oxopropyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid IUPAC Name: 5-[3-acetyloxy-2-[(1-ethoxy-1-oxo-4-phenylbutan-2-yl)amino]propanoyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid Traditional Name: 5-[3-acetoxy-2-[(1-carbethoxy-3-phenyl-propyl)amino]propanoyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid Formula: C25H30N2O7S MolecularWeight: 502.5799

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCC1=CC=CC=C1)NC(COC(=O)C)C(=O)N2CCC3=C(C2C(=O)O)C=CS3

Isomeric SMILES

CCOC(=O)C(CCC1=CC=CC=C1)NC(COC(=O)C)C(=O)N2CCC3=C(C2C(=O)O)C=CS3

InChI

InChI=1S/C25H30N2O7S/c1-3-33-25(32)19(10-9-17-7-5-4-6-8-17)26-20(15-34-16(2)28)23(29)27-13-11-21-18(12-14-35-21)22(27)24(30)31/h4-8,12,14,19-20,22,26H,3,9-11,13,15H2,1-2H3,(H,30,31)