sodium 3-[4-[2-(2,3-dihydro-1,4-benzothiazin-4-yl)ethoxy]phenyl]-2-ethoxy-propanoate

Systemtic Name: sodium 3-[4-[2-(2,3-dihydro-1,4-benzothiazin-4-yl)ethoxy]phenyl]-2-ethoxy-propanoate Openeye Name: sodium 3-[4-[2-(2,3-dihydro-1,4-benzothiazin-4-yl)ethoxy]phenyl]-2-ethoxy-propanoate CAS Name: sodium 3-[4-[2-(2,3-dihydro-1,4-benzothiazin-4-yl)ethoxy]phenyl]-2-ethoxypropanoate IUPAC Name: sodium 3-[4-[2-(2,3-dihydro-1,4-benzothiazin-4-yl)ethoxy]phenyl]-2-ethoxypropanoate Traditional Name: sodium 3-[4-[2-(2,3-dihydro-1,4-benzothiazin-4-yl)ethoxy]phenyl]-2-ethoxy-propionate Formula: C21H24NNaO4S MolecularWeight: 409.47433

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(CC1=CC=C(C=C1)OCCN2CCSC3=CC=CC=C32)C(=O)[O-].[Na+]

Isomeric SMILES

CCOC(CC1=CC=C(C=C1)OCCN2CCSC3=CC=CC=C32)C(=O)[O-].[Na+]

InChI

InChI=1S/C21H25NO4S.Na/c1-2-25-19(21(23)24)15-16-7-9-17(10-8-16)26-13-11-22-12-14-27-20-6-4-3-5-18(20)22;/h3-10,19H,2,11-15H2,1H3,(H,23,24);/q;+1/p-1