methyl 3-[[4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)phenyl]carbonylamino]-3-phenyl-propanoate

Systemtic Name: methyl 3-[[4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)phenyl]carbonylamino]-3-phenyl-propanoate Openeye Name: methyl 3-[[4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzoyl]amino]-3-phenyl-propanoate CAS Name: 3-[[[4-(2-imidazo[1,2-a]pyridinylmethylthio)phenyl]-oxomethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 3-[[4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzoyl]amino]-3-phenylpropanoate Traditional Name: 3-[[4-(imidazo[1,2-a]pyridin-2-ylmethylthio)benzoyl]amino]-3-phenyl-propionic acid methyl ester Formula: C25H23N3O3S MolecularWeight: 445.53342

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(C1=CC=CC=C1)NC(=O)C2=CC=C(C=C2)SCC3=CN4C=CC=CC4=N3

Isomeric SMILES

COC(=O)CC(C1=CC=CC=C1)NC(=O)C2=CC=C(C=C2)SCC3=CN4C=CC=CC4=N3

InChI

InChI=1S/C25H23N3O3S/c1-31-24(29)15-22(18-7-3-2-4-8-18)27-25(30)19-10-12-21(13-11-19)32-17-20-16-28-14-6-5-9-23(28)26-20/h2-14,16,22H,15,17H2,1H3,(H,27,30)