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2-[(3,4-diethoxyphenyl)-(2-methyl-3-sulfanyl-propanoyl)amino]ethanoic acid

2-[(3,4-diethoxyphenyl)-(2-methyl-3-sulfanyl-propanoyl)amino]ethanoic acid

Systemtic Name:2-[(3,4-diethoxyphenyl)-(2-methyl-3-sulfanyl-propanoyl)amino]ethanoic acid
Openeye Name:2-(3,4-diethoxy-N-(2-methyl-3-sulfanyl-propanoyl)anilino)acetic acid
CAS Name:2-(3,4-diethoxy-N-(3-mercapto-2-methyl-1-oxopropyl)anilino)acetic acid
IUPAC Name:2-(3,4-diethoxy-N-(2-methyl-3-sulfanylpropanoyl)anilino)acetic acid
Traditional Name:2-(3,4-diethoxy-N-(3-mercapto-2-methyl-propanoyl)anilino)acetic acid
Formula: C16H23NO5S
MolecularWeight: 341.42252
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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)N(CC(=O)O)C(=O)C(C)CS)OCC


Isomeric SMILES

CCOC1=C(C=C(C=C1)N(CC(=O)O)C(=O)C(C)CS)OCC


InChI

InChI=1S/C16H23NO5S/c1-4-21-13-7-6-12(8-14(13)22-5-2)17(9-15(18)19)16(20)11(3)10-23/h6-8,11,23H,4-5,9-10H2,1-3H3,(H,18,19)


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