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

Systemtic Name: 4-[[[6-(2-morpholin-4-ylethoxy)-1,3-benzothiazol-2-yl]amino]methyl]benzoic acid Openeye Name: 4-[[[6-(2-morpholinoethoxy)-1,3-benzothiazol-2-yl]amino]methyl]benzoic acid CAS Name: 4-[[[6-[2-(4-morpholinyl)ethoxy]-1,3-benzothiazol-2-yl]amino]methyl]benzoic acid IUPAC Name: 4-[[[6-(2-morpholin-4-ylethoxy)-1,3-benzothiazol-2-yl]amino]methyl]benzoic acid Traditional Name: 4-[[[6-(2-morpholinoethoxy)-1,3-benzothiazol-2-yl]amino]methyl]benzoic acid Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCOC2=CC3=C(C=C2)N=C(S3)NCC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1COCCN1CCOC2=CC3=C(C=C2)N=C(S3)NCC4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C21H23N3O4S/c25-20(26)16-3-1-15(2-4-16)14-22-21-23-18-6-5-17(13-19(18)29-21)28-12-9-24-7-10-27-11-8-24/h1-6,13H,7-12,14H2,(H,22,23)(H,25,26)