3-ethoxy-3-oxidanylidene-2-[[4-[2-(2-oxidanylidene-1,3-benzothiazol-3-yl)ethoxy]phenyl]methyl]propanoic acid

Systemtic Name: 3-ethoxy-3-oxidanylidene-2-[[4-[2-(2-oxidanylidene-1,3-benzothiazol-3-yl)ethoxy]phenyl]methyl]propanoic acid Openeye Name: 3-ethoxy-3-oxo-2-[[4-[2-(2-oxo-1,3-benzothiazol-3-yl)ethoxy]phenyl]methyl]propanoic acid CAS Name: 3-ethoxy-3-oxo-2-[[4-[2-(2-oxo-1,3-benzothiazol-3-yl)ethoxy]phenyl]methyl]propanoic acid IUPAC Name: 3-ethoxy-3-oxo-2-[[4-[2-(2-oxo-1,3-benzothiazol-3-yl)ethoxy]phenyl]methyl]propanoic acid Traditional Name: 3-ethoxy-3-keto-2-[4-[2-(2-keto-1,3-benzothiazol-3-yl)ethoxy]benzyl]propionic acid Formula: C21H21NO6S MolecularWeight: 415.45954

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=C(C=C1)OCCN2C3=CC=CC=C3SC2=O)C(=O)O

Isomeric SMILES

CCOC(=O)C(CC1=CC=C(C=C1)OCCN2C3=CC=CC=C3SC2=O)C(=O)O

InChI

InChI=1S/C21H21NO6S/c1-2-27-20(25)16(19(23)24)13-14-7-9-15(10-8-14)28-12-11-22-17-5-3-4-6-18(17)29-21(22)26/h3-10,16H,2,11-13H2,1H3,(H,23,24)