2-azanyl-3-[(2-chloranyl-7-methyl-quinolin-3-yl)methylsulfanyl]propanoic acid

Systemtic Name: 2-azanyl-3-[(2-chloranyl-7-methyl-quinolin-3-yl)methylsulfanyl]propanoic acid Openeye Name: 2-amino-3-[(2-chloro-7-methyl-3-quinolyl)methylsulfanyl]propanoic acid CAS Name: 2-amino-3-[(2-chloro-7-methyl-3-quinolinyl)methylthio]propanoic acid IUPAC Name: 2-amino-3-[(2-chloro-7-methylquinolin-3-yl)methylsulfanyl]propanoic acid Traditional Name: 2-amino-3-[(2-chloro-7-methyl-3-quinolyl)methylthio]propionic acid Formula: C14H15ClN2O2S MolecularWeight: 310.7991

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=NC(=C(C=C2C=C1)CSCC(C(=O)O)N)Cl

Isomeric SMILES

CC1=CC2=NC(=C(C=C2C=C1)CSCC(C(=O)O)N)Cl

InChI

InChI=1S/C14H15ClN2O2S/c1-8-2-3-9-5-10(13(15)17-12(9)4-8)6-20-7-11(16)14(18)19/h2-5,11H,6-7,16H2,1H3,(H,18,19)