(2-chloranyl-7,8-dimethyl-quinolin-3-yl)methyl (2S)-2-(aminocarbonylamino)-4-methylsulfanyl-butanoate

Systemtic Name: (2-chloranyl-7,8-dimethyl-quinolin-3-yl)methyl (2S)-2-(aminocarbonylamino)-4-methylsulfanyl-butanoate Openeye Name: (2-chloro-7,8-dimethyl-3-quinolyl)methyl (2S)-4-methylsulfanyl-2-ureido-butanoate CAS Name: (2S)-2-(carbamoylamino)-4-(methylthio)butanoic acid (2-chloro-7,8-dimethyl-3-quinolinyl)methyl ester IUPAC Name: (2-chloro-7,8-dimethylquinolin-3-yl)methyl (2S)-2-(carbamoylamino)-4-methylsulfanylbutanoate Traditional Name: (2S)-4-(methylthio)-2-ureido-butyric acid (2-chloro-7,8-dimethyl-3-quinolyl)methyl ester Formula: C18H22ClN3O3S MolecularWeight: 395.90358

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=NC(=C(C=C2C=C1)COC(=O)C(CCSC)NC(=O)N)Cl)C

Isomeric SMILES

CC1=C(C2=NC(=C(C=C2C=C1)COC(=O)[C@H](CCSC)NC(=O)N)Cl)C

InChI

InChI=1S/C18H22ClN3O3S/c1-10-4-5-12-8-13(16(19)22-15(12)11(10)2)9-25-17(23)14(6-7-26-3)21-18(20)24/h4-5,8,14H,6-7,9H2,1-3H3,(H3,20,21,24)/t14-/m0/s1