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

Systemtic Name: 3-methoxy-3-oxidanylidene-2-[[4-[2-(2-oxidanylidene-1,3-benzothiazol-3-yl)ethoxy]phenyl]methyl]propanoic acid Openeye Name: 3-methoxy-3-oxo-2-[[4-[2-(2-oxo-1,3-benzothiazol-3-yl)ethoxy]phenyl]methyl]propanoic acid CAS Name: 3-methoxy-3-oxo-2-[[4-[2-(2-oxo-1,3-benzothiazol-3-yl)ethoxy]phenyl]methyl]propanoic acid IUPAC Name: 3-methoxy-3-oxo-2-[[4-[2-(2-oxo-1,3-benzothiazol-3-yl)ethoxy]phenyl]methyl]propanoic acid Traditional Name: 3-keto-2-[4-[2-(2-keto-1,3-benzothiazol-3-yl)ethoxy]benzyl]-3-methoxy-propionic acid Formula: C20H19NO6S MolecularWeight: 401.43296

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19NO6S/c1-26-19(24)15(18(22)23)12-13-6-8-14(9-7-13)27-11-10-21-16-4-2-3-5-17(16)28-20(21)25/h2-9,15H,10-12H2,1H3,(H,22,23)