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

Systemtic Name: 2-ethylsulfanyl-3-[4-[2-(4-oxidanylidene-2H-1,3-benzoxazin-3-yl)ethoxy]phenyl]propanoic acid Openeye Name: 2-ethylsulfanyl-3-[4-[2-(4-oxo-2H-1,3-benzoxazin-3-yl)ethoxy]phenyl]propanoic acid CAS Name: 2-(ethylthio)-3-[4-[2-(4-oxo-2H-1,3-benzoxazin-3-yl)ethoxy]phenyl]propanoic acid IUPAC Name: 2-ethylsulfanyl-3-[4-[2-(4-oxo-2H-1,3-benzoxazin-3-yl)ethoxy]phenyl]propanoic acid Traditional Name: 2-(ethylthio)-3-[4-[2-(4-keto-2H-1,3-benzoxazin-3-yl)ethoxy]phenyl]propionic acid Formula: C21H23NO5S MolecularWeight: 401.47602

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Descriptors Computed from Structure

Canonical SMILES:

CCSC(CC1=CC=C(C=C1)OCCN2COC3=CC=CC=C3C2=O)C(=O)O

Isomeric SMILES

CCSC(CC1=CC=C(C=C1)OCCN2COC3=CC=CC=C3C2=O)C(=O)O

InChI

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