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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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