methyl (2S)-2-[(8-methyl-2-piperidin-1-ylcarbonyl-imidazo[1,2-a]pyridin-3-yl)methylamino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl (2S)-2-[(8-methyl-2-piperidin-1-ylcarbonyl-imidazo[1,2-a]pyridin-3-yl)methylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl (2S)-2-[[8-methyl-2-(piperidine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]methylamino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[8-methyl-2-[oxo(1-piperidinyl)methyl]-3-imidazo[1,2-a]pyridinyl]methylamino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[8-methyl-2-(piperidine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]methylamino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[[8-methyl-2-(piperidine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]methylamino]-4-(methylthio)butyric acid methyl ester Formula: C21H30N4O3S MolecularWeight: 418.5529

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CN2C1=NC(=C2CNC(CCSC)C(=O)OC)C(=O)N3CCCCC3

Isomeric SMILES

CC1=CC=CN2C1=NC(=C2CN[C@@H](CCSC)C(=O)OC)C(=O)N3CCCCC3

InChI

InChI=1S/C21H30N4O3S/c1-15-8-7-12-25-17(14-22-16(9-13-29-3)21(27)28-2)18(23-19(15)25)20(26)24-10-5-4-6-11-24/h7-8,12,16,22H,4-6,9-11,13-14H2,1-3H3/t16-/m0/s1