2-[(E)-4-[2-[2-(1,3-benzodioxol-5-yl)-5-methyl-1,3-oxazol-4-yl]ethoxy]but-2-enyl]sulfanylethanoic acid

Systemtic Name: 2-[(E)-4-[2-[2-(1,3-benzodioxol-5-yl)-5-methyl-1,3-oxazol-4-yl]ethoxy]but-2-enyl]sulfanylethanoic acid Openeye Name: 2-[(E)-4-[2-[2-(1,3-benzodioxol-5-yl)-5-methyl-oxazol-4-yl]ethoxy]but-2-enyl]sulfanylacetic acid CAS Name: 2-[[(E)-4-[2-[2-(1,3-benzodioxol-5-yl)-5-methyl-4-oxazolyl]ethoxy]but-2-enyl]thio]acetic acid IUPAC Name: 2-[(E)-4-[2-[2-(1,3-benzodioxol-5-yl)-5-methyl-1,3-oxazol-4-yl]ethoxy]but-2-enyl]sulfanylacetic acid Traditional Name: 2-[[(E)-4-[2-[2-(1,3-benzodioxol-5-yl)-5-methyl-oxazol-4-yl]ethoxy]but-2-enyl]thio]acetic acid Formula: C19H21NO6S MolecularWeight: 391.43814

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(O1)C2=CC3=C(C=C2)OCO3)CCOCC=CCSCC(=O)O

Isomeric SMILES

CC1=C(N=C(O1)C2=CC3=C(C=C2)OCO3)CCOC/C=C/CSCC(=O)O

InChI

InChI=1S/C19H21NO6S/c1-13-15(6-8-23-7-2-3-9-27-11-18(21)22)20-19(26-13)14-4-5-16-17(10-14)25-12-24-16/h2-5,10H,6-9,11-12H2,1H3,(H,21,22)/b3-2+