methyl (2S)-4-methylsulfanyl-2-[(6-propan-2-yl-2-pyridin-3-yl-quinolin-4-yl)carbonylamino]butanoate

Systemtic Name: methyl (2S)-4-methylsulfanyl-2-[(6-propan-2-yl-2-pyridin-3-yl-quinolin-4-yl)carbonylamino]butanoate Openeye Name: methyl (2S)-2-[[6-isopropyl-2-(3-pyridyl)quinoline-4-carbonyl]amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-4-(methylthio)-2-[[oxo-[6-propan-2-yl-2-(3-pyridinyl)-4-quinolinyl]methyl]amino]butanoic acid methyl ester IUPAC Name: methyl (2S)-4-methylsulfanyl-2-[(6-propan-2-yl-2-pyridin-3-ylquinoline-4-carbonyl)amino]butanoate Traditional Name: (2S)-2-[[6-isopropyl-2-(3-pyridyl)quinoline-4-carbonyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C24H27N3O3S MolecularWeight: 437.55448

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC2=C(C=C1)N=C(C=C2C(=O)NC(CCSC)C(=O)OC)C3=CN=CC=C3

Isomeric SMILES

CC(C)C1=CC2=C(C=C1)N=C(C=C2C(=O)N[C@@H](CCSC)C(=O)OC)C3=CN=CC=C3

InChI

InChI=1S/C24H27N3O3S/c1-15(2)16-7-8-20-18(12-16)19(13-22(26-20)17-6-5-10-25-14-17)23(28)27-21(9-11-31-4)24(29)30-3/h5-8,10,12-15,21H,9,11H2,1-4H3,(H,27,28)/t21-/m0/s1