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

Systemtic Name: methyl 2-[[6-[(2-morpholin-4-ylcarbonylphenyl)carbonylamino]-1,3-benzothiazol-2-yl]sulfanyl]ethanoate Openeye Name: methyl 2-[[6-[[2-(morpholine-4-carbonyl)benzoyl]amino]-1,3-benzothiazol-2-yl]sulfanyl]acetate CAS Name: 2-[[6-[[[2-[4-morpholinyl(oxo)methyl]phenyl]-oxomethyl]amino]-1,3-benzothiazol-2-yl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[[6-[[2-(morpholine-4-carbonyl)benzoyl]amino]-1,3-benzothiazol-2-yl]sulfanyl]acetate Traditional Name: 2-[[6-[[2-(morpholine-4-carbonyl)benzoyl]amino]-1,3-benzothiazol-2-yl]thio]acetic acid methyl ester Formula: C22H21N3O5S2 MolecularWeight: 471.54924

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=CC=CC=C3C(=O)N4CCOCC4

Isomeric SMILES

COC(=O)CSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=CC=CC=C3C(=O)N4CCOCC4

InChI

InChI=1S/C22H21N3O5S2/c1-29-19(26)13-31-22-24-17-7-6-14(12-18(17)32-22)23-20(27)15-4-2-3-5-16(15)21(28)25-8-10-30-11-9-25/h2-7,12H,8-11,13H2,1H3,(H,23,27)