2-sulfanyl-2-[(3,4,5-triethoxyphenyl)carbonylamino]pentanedioic acid

Systemtic Name: 2-sulfanyl-2-[(3,4,5-triethoxyphenyl)carbonylamino]pentanedioic acid Openeye Name: 2-sulfanyl-2-[(3,4,5-triethoxybenzoyl)amino]pentanedioic acid CAS Name: 2-mercapto-2-[[oxo-(3,4,5-triethoxyphenyl)methyl]amino]pentanedioic acid IUPAC Name: 2-sulfanyl-2-[(3,4,5-triethoxybenzoyl)amino]pentanedioic acid Traditional Name: 2-mercapto-2-[(3,4,5-triethoxybenzoyl)amino]glutaric acid Formula: C18H25NO8S MolecularWeight: 415.458

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC(CCC(=O)O)(C(=O)O)S

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC(CCC(=O)O)(C(=O)O)S

InChI

InChI=1S/C18H25NO8S/c1-4-25-12-9-11(10-13(26-5-2)15(12)27-6-3)16(22)19-18(28,17(23)24)8-7-14(20)21/h9-10,28H,4-8H2,1-3H3,(H,19,22)(H,20,21)(H,23,24)