2-[(6-bromanyl-1,3-benzothiazol-2-yl)amino]-3-[4-(4-ethoxy-4-oxidanylidene-butoxy)phenyl]propanoic acid

Systemtic Name: 2-[(6-bromanyl-1,3-benzothiazol-2-yl)amino]-3-[4-(4-ethoxy-4-oxidanylidene-butoxy)phenyl]propanoic acid Openeye Name: 2-[(6-bromo-1,3-benzothiazol-2-yl)amino]-3-[4-(4-ethoxy-4-oxo-butoxy)phenyl]propanoic acid CAS Name: 2-[(6-bromo-1,3-benzothiazol-2-yl)amino]-3-[4-(4-ethoxy-4-oxobutoxy)phenyl]propanoic acid IUPAC Name: 2-[(6-bromo-1,3-benzothiazol-2-yl)amino]-3-[4-(4-ethoxy-4-oxobutoxy)phenyl]propanoic acid Traditional Name: 2-[(6-bromo-1,3-benzothiazol-2-yl)amino]-3-[4-(4-ethoxy-4-keto-butoxy)phenyl]propionic acid Formula: C22H23BrN2O5S MolecularWeight: 507.39742

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCOC1=CC=C(C=C1)CC(C(=O)O)NC2=NC3=C(S2)C=C(C=C3)Br

Isomeric SMILES

CCOC(=O)CCCOC1=CC=C(C=C1)CC(C(=O)O)NC2=NC3=C(S2)C=C(C=C3)Br

InChI

InChI=1S/C22H23BrN2O5S/c1-2-29-20(26)4-3-11-30-16-8-5-14(6-9-16)12-18(21(27)28)25-22-24-17-10-7-15(23)13-19(17)31-22/h5-10,13,18H,2-4,11-12H2,1H3,(H,24,25)(H,27,28)