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

Systemtic Name: 2-ethoxy-3-[4-[2-(3-oxidanylidene-4H-1,4-benzothiazin-2-yl)ethoxy]phenyl]propanoic acid Openeye Name: 2-ethoxy-3-[4-[2-(3-oxo-4H-1,4-benzothiazin-2-yl)ethoxy]phenyl]propanoic acid CAS Name: 2-ethoxy-3-[4-[2-(3-oxo-4H-1,4-benzothiazin-2-yl)ethoxy]phenyl]propanoic acid IUPAC Name: 2-ethoxy-3-[4-[2-(3-oxo-4H-1,4-benzothiazin-2-yl)ethoxy]phenyl]propanoic acid Traditional Name: 2-ethoxy-3-[4-[2-(3-keto-4H-1,4-benzothiazin-2-yl)ethoxy]phenyl]propionic acid Formula: C21H23NO5S MolecularWeight: 401.47602

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(CC1=CC=C(C=C1)OCCC2C(=O)NC3=CC=CC=C3S2)C(=O)O

Isomeric SMILES

CCOC(CC1=CC=C(C=C1)OCCC2C(=O)NC3=CC=CC=C3S2)C(=O)O

InChI

InChI=1S/C21H23NO5S/c1-2-26-17(21(24)25)13-14-7-9-15(10-8-14)27-12-11-19-20(23)22-16-5-3-4-6-18(16)28-19/h3-10,17,19H,2,11-13H2,1H3,(H,22,23)(H,24,25)