methyl (2R)-2-[(8-ethoxyquinolin-5-yl)sulfonylamino]-3-(phenylmethylsulfanyl)propanoate

Systemtic Name: methyl (2R)-2-[(8-ethoxyquinolin-5-yl)sulfonylamino]-3-(phenylmethylsulfanyl)propanoate Openeye Name: methyl (2R)-3-benzylsulfanyl-2-[(8-ethoxy-5-quinolyl)sulfonylamino]propanoate CAS Name: (2R)-2-[(8-ethoxy-5-quinolinyl)sulfonylamino]-3-(phenylmethylthio)propanoic acid methyl ester IUPAC Name: methyl (2R)-3-benzylsulfanyl-2-[(8-ethoxyquinolin-5-yl)sulfonylamino]propanoate Traditional Name: (2R)-3-(benzylthio)-2-[(8-ethoxy-5-quinolyl)sulfonylamino]propionic acid methyl ester Formula: C22H24N2O5S2 MolecularWeight: 460.56636

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C2C(=C(C=C1)S(=O)(=O)NC(CSCC3=CC=CC=C3)C(=O)OC)C=CC=N2

Isomeric SMILES

CCOC1=C2C(=C(C=C1)S(=O)(=O)N[C@@H](CSCC3=CC=CC=C3)C(=O)OC)C=CC=N2

InChI

InChI=1S/C22H24N2O5S2/c1-3-29-19-11-12-20(17-10-7-13-23-21(17)19)31(26,27)24-18(22(25)28-2)15-30-14-16-8-5-4-6-9-16/h4-13,18,24H,3,14-15H2,1-2H3/t18-/m0/s1