2-[[6-[(2-morpholin-4-ylcarbonylphenyl)carbonylamino]-1,3-benzothiazol-2-yl]sulfanyl]pentanoic acid

Systemtic Name: 2-[[6-[(2-morpholin-4-ylcarbonylphenyl)carbonylamino]-1,3-benzothiazol-2-yl]sulfanyl]pentanoic acid Openeye Name: 2-[[6-[[2-(morpholine-4-carbonyl)benzoyl]amino]-1,3-benzothiazol-2-yl]sulfanyl]pentanoic acid CAS Name: 2-[[6-[[[2-[4-morpholinyl(oxo)methyl]phenyl]-oxomethyl]amino]-1,3-benzothiazol-2-yl]thio]pentanoic acid IUPAC Name: 2-[[6-[[2-(morpholine-4-carbonyl)benzoyl]amino]-1,3-benzothiazol-2-yl]sulfanyl]pentanoic acid Traditional Name: 2-[[6-[[2-(morpholine-4-carbonyl)benzoyl]amino]-1,3-benzothiazol-2-yl]thio]valeric acid Formula: C24H25N3O5S2 MolecularWeight: 499.6024

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)O)SC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=CC=CC=C3C(=O)N4CCOCC4

Isomeric SMILES

CCCC(C(=O)O)SC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=CC=CC=C3C(=O)N4CCOCC4

InChI

InChI=1S/C24H25N3O5S2/c1-2-5-19(23(30)31)33-24-26-18-9-8-15(14-20(18)34-24)25-21(28)16-6-3-4-7-17(16)22(29)27-10-12-32-13-11-27/h3-4,6-9,14,19H,2,5,10-13H2,1H3,(H,25,28)(H,30,31)