3-[2-[(1E,3E)-4-ethoxy-3-methyl-buta-1,3-dienyl]-6-methyl-2H-1,3-benzothiazol-3-yl]propanoic acid

Systemtic Name: 3-[2-[(1E,3E)-4-ethoxy-3-methyl-buta-1,3-dienyl]-6-methyl-2H-1,3-benzothiazol-3-yl]propanoic acid Openeye Name: 3-[2-[(1E,3E)-4-ethoxy-3-methyl-buta-1,3-dienyl]-6-methyl-2H-1,3-benzothiazol-3-yl]propanoic acid CAS Name: 3-[2-[(1E,3E)-4-ethoxy-3-methylbuta-1,3-dienyl]-6-methyl-2H-1,3-benzothiazol-3-yl]propanoic acid IUPAC Name: 3-[2-[(1E,3E)-4-ethoxy-3-methylbuta-1,3-dienyl]-6-methyl-2H-1,3-benzothiazol-3-yl]propanoic acid Traditional Name: 3-[2-[(1E,3E)-4-ethoxy-3-methyl-buta-1,3-dienyl]-6-methyl-2H-1,3-benzothiazol-3-yl]propionic acid Formula: C18H23NO3S MolecularWeight: 333.44512

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Descriptors Computed from Structure

Canonical SMILES:

CCOC=C(C)C=CC1N(C2=C(S1)C=C(C=C2)C)CCC(=O)O

Isomeric SMILES

CCO/C=C(\C)/C=C/C1N(C2=C(S1)C=C(C=C2)C)CCC(=O)O

InChI

InChI=1S/C18H23NO3S/c1-4-22-12-14(3)6-8-17-19(10-9-18(20)21)15-7-5-13(2)11-16(15)23-17/h5-8,11-12,17H,4,9-10H2,1-3H3,(H,20,21)/b8-6+,14-12+