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

Systemtic Name: 2-ethoxy-3-[4-[2-(3-oxidanylidene-1,4-benzothiazin-4-yl)ethoxy]phenyl]propanoic acid Openeye Name: 2-ethoxy-3-[4-[2-(3-oxo-1,4-benzothiazin-4-yl)ethoxy]phenyl]propanoic acid CAS Name: 2-ethoxy-3-[4-[2-(3-oxo-1,4-benzothiazin-4-yl)ethoxy]phenyl]propanoic acid IUPAC Name: 2-ethoxy-3-[4-[2-(3-oxo-1,4-benzothiazin-4-yl)ethoxy]phenyl]propanoic acid Traditional Name: 2-ethoxy-3-[4-[2-(3-keto-1,4-benzothiazin-4-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)OCCN2C(=O)CSC3=CC=CC=C32)C(=O)O

Isomeric SMILES

CCOC(CC1=CC=C(C=C1)OCCN2C(=O)CSC3=CC=CC=C32)C(=O)O

InChI

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