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

Systemtic Name: 3-[4-[3-(2,3-dihydro-1,4-benzothiazin-4-yl)propylamino]phenyl]-2-ethoxy-propanoic acid Openeye Name: 3-[4-[3-(2,3-dihydro-1,4-benzothiazin-4-yl)propylamino]phenyl]-2-ethoxy-propanoic acid CAS Name: 3-[4-[3-(2,3-dihydro-1,4-benzothiazin-4-yl)propylamino]phenyl]-2-ethoxypropanoic acid IUPAC Name: 3-[4-[3-(2,3-dihydro-1,4-benzothiazin-4-yl)propylamino]phenyl]-2-ethoxypropanoic acid Traditional Name: 3-[4-[3-(2,3-dihydro-1,4-benzothiazin-4-yl)propylamino]phenyl]-2-ethoxy-propionic acid Formula: C22H28N2O3S MolecularWeight: 400.53432

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(CC1=CC=C(C=C1)NCCCN2CCSC3=CC=CC=C32)C(=O)O

Isomeric SMILES

CCOC(CC1=CC=C(C=C1)NCCCN2CCSC3=CC=CC=C32)C(=O)O

InChI

InChI=1S/C22H28N2O3S/c1-2-27-20(22(25)26)16-17-8-10-18(11-9-17)23-12-5-13-24-14-15-28-21-7-4-3-6-19(21)24/h3-4,6-11,20,23H,2,5,12-16H2,1H3,(H,25,26)