ethyl 2-[(8-oxidanylquinolin-5-yl)methylamino]-3-sulfanyl-propanoate

Systemtic Name: ethyl 2-[(8-oxidanylquinolin-5-yl)methylamino]-3-sulfanyl-propanoate Openeye Name: ethyl 2-[(8-hydroxy-5-quinolyl)methylamino]-3-sulfanyl-propanoate CAS Name: 2-[(8-hydroxy-5-quinolinyl)methylamino]-3-mercaptopropanoic acid ethyl ester IUPAC Name: ethyl 2-[(8-hydroxyquinolin-5-yl)methylamino]-3-sulfanylpropanoate Traditional Name: 2-[(8-hydroxy-5-quinolyl)methylamino]-3-mercapto-propionic acid ethyl ester Formula: C15H18N2O3S MolecularWeight: 306.38002

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CS)NCC1=C2C=CC=NC2=C(C=C1)O

Isomeric SMILES

CCOC(=O)C(CS)NCC1=C2C=CC=NC2=C(C=C1)O

InChI

InChI=1S/C15H18N2O3S/c1-2-20-15(19)12(9-21)17-8-10-5-6-13(18)14-11(10)4-3-7-16-14/h3-7,12,17-18,21H,2,8-9H2,1H3