ethyl 2-[(4-methoxy-2,3,6-trimethyl-phenyl)sulfonylamino]-3-(phenylmethylsulfanyl)propanoate

Systemtic Name: ethyl 2-[(4-methoxy-2,3,6-trimethyl-phenyl)sulfonylamino]-3-(phenylmethylsulfanyl)propanoate Openeye Name: ethyl 3-benzylsulfanyl-2-[(4-methoxy-2,3,6-trimethyl-phenyl)sulfonylamino]propanoate CAS Name: 2-[(4-methoxy-2,3,6-trimethylphenyl)sulfonylamino]-3-(phenylmethylthio)propanoic acid ethyl ester IUPAC Name: ethyl 3-benzylsulfanyl-2-[(4-methoxy-2,3,6-trimethylphenyl)sulfonylamino]propanoate Traditional Name: 3-(benzylthio)-2-[(4-methoxy-2,3,6-trimethyl-phenyl)sulfonylamino]propionic acid ethyl ester Formula: C22H29NO5S2 MolecularWeight: 451.59936

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CSCC1=CC=CC=C1)NS(=O)(=O)C2=C(C(=C(C=C2C)OC)C)C

Isomeric SMILES

CCOC(=O)C(CSCC1=CC=CC=C1)NS(=O)(=O)C2=C(C(=C(C=C2C)OC)C)C

InChI

InChI=1S/C22H29NO5S2/c1-6-28-22(24)19(14-29-13-18-10-8-7-9-11-18)23-30(25,26)21-15(2)12-20(27-5)16(3)17(21)4/h7-12,19,23H,6,13-14H2,1-5H3