methyl 3-(phenylmethylsulfanyl)-2-(quinolin-8-ylsulfonylamino)propanoate

Systemtic Name: methyl 3-(phenylmethylsulfanyl)-2-(quinolin-8-ylsulfonylamino)propanoate Openeye Name: methyl 3-benzylsulfanyl-2-(8-quinolylsulfonylamino)propanoate CAS Name: 3-(phenylmethylthio)-2-(8-quinolinylsulfonylamino)propanoic acid methyl ester IUPAC Name: methyl 3-benzylsulfanyl-2-(quinolin-8-ylsulfonylamino)propanoate Traditional Name: 3-(benzylthio)-2-(8-quinolylsulfonylamino)propionic acid methyl ester Formula: C20H20N2O4S2 MolecularWeight: 416.5138

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CSCC1=CC=CC=C1)NS(=O)(=O)C2=CC=CC3=C2N=CC=C3

Isomeric SMILES

COC(=O)C(CSCC1=CC=CC=C1)NS(=O)(=O)C2=CC=CC3=C2N=CC=C3

InChI

InChI=1S/C20H20N2O4S2/c1-26-20(23)17(14-27-13-15-7-3-2-4-8-15)22-28(24,25)18-11-5-9-16-10-6-12-21-19(16)18/h2-12,17,22H,13-14H2,1H3