methyl (2S)-2-(3,4-dihydro-2H-quinolin-1-ylcarbonylamino)-4-methylsulfanyl-butanoate

Systemtic Name: methyl (2S)-2-(3,4-dihydro-2H-quinolin-1-ylcarbonylamino)-4-methylsulfanyl-butanoate Openeye Name: methyl (2S)-2-(3,4-dihydro-2H-quinoline-1-carbonylamino)-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[3,4-dihydro-2H-quinolin-1-yl(oxo)methyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl (2S)-2-(3,4-dihydro-2H-quinoline-1-carbonylamino)-4-methylsulfanylbutanoate Traditional Name: (2S)-2-(3,4-dihydro-2H-quinoline-1-carbonylamino)-4-(methylthio)butyric acid methyl ester Formula: C16H22N2O3S MolecularWeight: 322.42248

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=O)N1CCCC2=CC=CC=C21

Isomeric SMILES

COC(=O)[C@H](CCSC)NC(=O)N1CCCC2=CC=CC=C21

InChI

InChI=1S/C16H22N2O3S/c1-21-15(19)13(9-11-22-2)17-16(20)18-10-5-7-12-6-3-4-8-14(12)18/h3-4,6,8,13H,5,7,9-11H2,1-2H3,(H,17,20)/t13-/m0/s1