3-[6-methyl-2-[methyl-(3,4,5-trimethoxyphenyl)carbonyl-amino]-3-sulfanyl-phenyl]propanoic acid

Systemtic Name: 3-[6-methyl-2-[methyl-(3,4,5-trimethoxyphenyl)carbonyl-amino]-3-sulfanyl-phenyl]propanoic acid Openeye Name: 3-[6-methyl-2-[methyl-(3,4,5-trimethoxybenzoyl)amino]-3-sulfanyl-phenyl]propanoic acid CAS Name: 3-[3-mercapto-6-methyl-2-[methyl-[oxo-(3,4,5-trimethoxyphenyl)methyl]amino]phenyl]propanoic acid IUPAC Name: 3-[6-methyl-2-[methyl-(3,4,5-trimethoxybenzoyl)amino]-3-sulfanylphenyl]propanoic acid Traditional Name: 3-[3-mercapto-6-methyl-2-[methyl-(3,4,5-trimethoxybenzoyl)amino]phenyl]propionic acid Formula: C21H25NO6S MolecularWeight: 419.4913

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)S)N(C)C(=O)C2=CC(=C(C(=C2)OC)OC)OC)CCC(=O)O

Isomeric SMILES

CC1=C(C(=C(C=C1)S)N(C)C(=O)C2=CC(=C(C(=C2)OC)OC)OC)CCC(=O)O

InChI

InChI=1S/C21H25NO6S/c1-12-6-8-17(29)19(14(12)7-9-18(23)24)22(2)21(25)13-10-15(26-3)20(28-5)16(11-13)27-4/h6,8,10-11,29H,7,9H2,1-5H3,(H,23,24)