ethyl 2-[(4-methylphenyl)sulfonylamino]-3-(phenylmethylsulfanyl)propanoate

Systemtic Name: ethyl 2-[(4-methylphenyl)sulfonylamino]-3-(phenylmethylsulfanyl)propanoate Openeye Name: ethyl 3-benzylsulfanyl-2-(p-tolylsulfonylamino)propanoate CAS Name: 2-[(4-methylphenyl)sulfonylamino]-3-(phenylmethylthio)propanoic acid ethyl ester IUPAC Name: ethyl 3-benzylsulfanyl-2-[(4-methylphenyl)sulfonylamino]propanoate Traditional Name: 3-(benzylthio)-2-(tosylamino)propionic acid ethyl ester Formula: C19H23NO4S2 MolecularWeight: 393.52022

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23NO4S2/c1-3-24-19(21)18(14-25-13-16-7-5-4-6-8-16)20-26(22,23)17-11-9-15(2)10-12-17/h4-12,18,20H,3,13-14H2,1-2H3