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

Systemtic Name: 3-[4-[3-(2,3-dihydro-1,4-benzothiazin-4-yl)prop-1-ynyl]phenyl]-2-ethoxy-propanoic acid Openeye Name: 3-[4-[3-(2,3-dihydro-1,4-benzothiazin-4-yl)prop-1-ynyl]phenyl]-2-ethoxy-propanoic acid CAS Name: 3-[4-[3-(2,3-dihydro-1,4-benzothiazin-4-yl)prop-1-ynyl]phenyl]-2-ethoxypropanoic acid IUPAC Name: 3-[4-[3-(2,3-dihydro-1,4-benzothiazin-4-yl)prop-1-ynyl]phenyl]-2-ethoxypropanoic acid Traditional Name: 3-[4-[3-(2,3-dihydro-1,4-benzothiazin-4-yl)prop-1-ynyl]phenyl]-2-ethoxy-propionic acid Formula: C22H23NO3S MolecularWeight: 381.48792

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(CC1=CC=C(C=C1)C#CCN2CCSC3=CC=CC=C32)C(=O)O

Isomeric SMILES

CCOC(CC1=CC=C(C=C1)C#CCN2CCSC3=CC=CC=C32)C(=O)O

InChI

InChI=1S/C22H23NO3S/c1-2-26-20(22(24)25)16-18-11-9-17(10-12-18)6-5-13-23-14-15-27-21-8-4-3-7-19(21)23/h3-4,7-12,20H,2,13-16H2,1H3,(H,24,25)