3-[3-(2-azanyl-1,3-benzothiazol-6-yl)-4-butoxy-phenyl]propanoic acid

Systemtic Name: 3-[3-(2-azanyl-1,3-benzothiazol-6-yl)-4-butoxy-phenyl]propanoic acid Openeye Name: 3-[3-(2-amino-1,3-benzothiazol-6-yl)-4-butoxy-phenyl]propanoic acid CAS Name: 3-[3-(2-amino-1,3-benzothiazol-6-yl)-4-butoxyphenyl]propanoic acid IUPAC Name: 3-[3-(2-amino-1,3-benzothiazol-6-yl)-4-butoxyphenyl]propanoic acid Traditional Name: 3-[3-(2-amino-1,3-benzothiazol-6-yl)-4-butoxy-phenyl]propionic acid Formula: C20H22N2O3S MolecularWeight: 370.46528

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)CCC(=O)O)C2=CC3=C(C=C2)N=C(S3)N

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)CCC(=O)O)C2=CC3=C(C=C2)N=C(S3)N

InChI

InChI=1S/C20H22N2O3S/c1-2-3-10-25-17-8-4-13(5-9-19(23)24)11-15(17)14-6-7-16-18(12-14)26-20(21)22-16/h4,6-8,11-12H,2-3,5,9-10H2,1H3,(H2,21,22)(H,23,24)