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

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

Systemtic Name:methyl 2-[(4-methoxy-2,3,6-trimethyl-phenyl)sulfonylamino]-3-(phenylmethylsulfanyl)propanoate
Openeye Name:methyl 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 methyl ester
IUPAC Name:methyl 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 methyl ester
Formula: C21H27NO5S2
MolecularWeight: 437.57278
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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1S(=O)(=O)NC(CSCC2=CC=CC=C2)C(=O)OC)C)C)OC


Isomeric SMILES

CC1=CC(=C(C(=C1S(=O)(=O)NC(CSCC2=CC=CC=C2)C(=O)OC)C)C)OC


InChI

InChI=1S/C21H27NO5S2/c1-14-11-19(26-4)15(2)16(3)20(14)29(24,25)22-18(21(23)27-5)13-28-12-17-9-7-6-8-10-17/h6-11,18,22H,12-13H2,1-5H3


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