imidazo[1,2-a]pyridin-2-ylmethyl (2S)-2-[(3-methylphenyl)carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: imidazo[1,2-a]pyridin-2-ylmethyl (2S)-2-[(3-methylphenyl)carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: imidazo[1,2-a]pyridin-2-ylmethyl (2S)-2-[(3-methylbenzoyl)amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[(3-methylphenyl)-oxomethyl]amino]-4-(methylthio)butanoic acid 2-imidazo[1,2-a]pyridinylmethyl ester IUPAC Name: imidazo[1,2-a]pyridin-2-ylmethyl (2S)-2-[(3-methylbenzoyl)amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-4-(methylthio)-2-(m-toluoylamino)butyric acid imidazo[1,2-a]pyridin-2-ylmethyl ester Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC(CCSC)C(=O)OCC2=CN3C=CC=CC3=N2

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)N[C@@H](CCSC)C(=O)OCC2=CN3C=CC=CC3=N2

InChI

InChI=1S/C21H23N3O3S/c1-15-6-5-7-16(12-15)20(25)23-18(9-11-28-2)21(26)27-14-17-13-24-10-4-3-8-19(24)22-17/h3-8,10,12-13,18H,9,11,14H2,1-2H3,(H,23,25)/t18-/m0/s1