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

Systemtic Name: 2-[[6-[(2-morpholin-4-ylcarbonylphenyl)carbonylamino]-1,3-benzothiazol-2-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[6-[[2-(morpholine-4-carbonyl)benzoyl]amino]-1,3-benzothiazol-2-yl]sulfanyl]acetic acid CAS Name: 2-[[6-[[[2-[4-morpholinyl(oxo)methyl]phenyl]-oxomethyl]amino]-1,3-benzothiazol-2-yl]thio]acetic acid IUPAC Name: 2-[[6-[[2-(morpholine-4-carbonyl)benzoyl]amino]-1,3-benzothiazol-2-yl]sulfanyl]acetic acid Traditional Name: 2-[[6-[[2-(morpholine-4-carbonyl)benzoyl]amino]-1,3-benzothiazol-2-yl]thio]acetic acid Formula: C21H19N3O5S2 MolecularWeight: 457.52266

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=O)C2=CC=CC=C2C(=O)NC3=CC4=C(C=C3)N=C(S4)SCC(=O)O

Isomeric SMILES

C1COCCN1C(=O)C2=CC=CC=C2C(=O)NC3=CC4=C(C=C3)N=C(S4)SCC(=O)O

InChI

InChI=1S/C21H19N3O5S2/c25-18(26)12-30-21-23-16-6-5-13(11-17(16)31-21)22-19(27)14-3-1-2-4-15(14)20(28)24-7-9-29-10-8-24/h1-6,11H,7-10,12H2,(H,22,27)(H,25,26)