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

Systemtic Name: sodium 3-[4-[2-(2,3-dihydro-1,4-benzothiazin-4-yl)ethoxy]phenyl]-2-methyl-propanoate Openeye Name: sodium 3-[4-[2-(2,3-dihydro-1,4-benzothiazin-4-yl)ethoxy]phenyl]-2-methyl-propanoate CAS Name: sodium 3-[4-[2-(2,3-dihydro-1,4-benzothiazin-4-yl)ethoxy]phenyl]-2-methylpropanoate IUPAC Name: sodium 3-[4-[2-(2,3-dihydro-1,4-benzothiazin-4-yl)ethoxy]phenyl]-2-methylpropanoate Traditional Name: sodium 3-[4-[2-(2,3-dihydro-1,4-benzothiazin-4-yl)ethoxy]phenyl]-2-methyl-propionate Formula: C20H22NNaO3S MolecularWeight: 379.44835

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23NO3S.Na/c1-15(20(22)23)14-16-6-8-17(9-7-16)24-12-10-21-11-13-25-19-5-3-2-4-18(19)21;/h2-9,15H,10-14H2,1H3,(H,22,23);/q;+1/p-1