methyl 4-[[[6-(2-morpholin-4-ylethoxy)-1,3-benzothiazol-2-yl]amino]methyl]benzoate

Systemtic Name: methyl 4-[[[6-(2-morpholin-4-ylethoxy)-1,3-benzothiazol-2-yl]amino]methyl]benzoate Openeye Name: methyl 4-[[[6-(2-morpholinoethoxy)-1,3-benzothiazol-2-yl]amino]methyl]benzoate CAS Name: 4-[[[6-[2-(4-morpholinyl)ethoxy]-1,3-benzothiazol-2-yl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[6-(2-morpholin-4-ylethoxy)-1,3-benzothiazol-2-yl]amino]methyl]benzoate Traditional Name: 4-[[[6-(2-morpholinoethoxy)-1,3-benzothiazol-2-yl]amino]methyl]benzoic acid methyl ester Formula: C22H25N3O4S MolecularWeight: 427.5166

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CNC2=NC3=C(S2)C=C(C=C3)OCCN4CCOCC4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CNC2=NC3=C(S2)C=C(C=C3)OCCN4CCOCC4

InChI

InChI=1S/C22H25N3O4S/c1-27-21(26)17-4-2-16(3-5-17)15-23-22-24-19-7-6-18(14-20(19)30-22)29-13-10-25-8-11-28-12-9-25/h2-7,14H,8-13,15H2,1H3,(H,23,24)