ethyl 3-(phenylmethylsulfanyl)-2-(pyridin-3-ylsulfonylamino)propanoate

Systemtic Name: ethyl 3-(phenylmethylsulfanyl)-2-(pyridin-3-ylsulfonylamino)propanoate Openeye Name: ethyl 3-benzylsulfanyl-2-(3-pyridylsulfonylamino)propanoate CAS Name: 3-(phenylmethylthio)-2-(3-pyridinylsulfonylamino)propanoic acid ethyl ester IUPAC Name: ethyl 3-benzylsulfanyl-2-(pyridin-3-ylsulfonylamino)propanoate Traditional Name: 3-(benzylthio)-2-(3-pyridylsulfonylamino)propionic acid ethyl ester Formula: C17H20N2O4S2 MolecularWeight: 380.4817

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CSCC1=CC=CC=C1)NS(=O)(=O)C2=CN=CC=C2

Isomeric SMILES

CCOC(=O)C(CSCC1=CC=CC=C1)NS(=O)(=O)C2=CN=CC=C2

InChI

InChI=1S/C17H20N2O4S2/c1-2-23-17(20)16(13-24-12-14-7-4-3-5-8-14)19-25(21,22)15-9-6-10-18-11-15/h3-11,16,19H,2,12-13H2,1H3