4-[[6-(2-morpholin-4-ylethylamino)-1,3-benzothiazol-2-yl]sulfanylmethyl]benzoic acid

Systemtic Name: 4-[[6-(2-morpholin-4-ylethylamino)-1,3-benzothiazol-2-yl]sulfanylmethyl]benzoic acid Openeye Name: 4-[[6-(2-morpholinoethylamino)-1,3-benzothiazol-2-yl]sulfanylmethyl]benzoic acid CAS Name: 4-[[[6-[2-(4-morpholinyl)ethylamino]-1,3-benzothiazol-2-yl]thio]methyl]benzoic acid IUPAC Name: 4-[[6-(2-morpholin-4-ylethylamino)-1,3-benzothiazol-2-yl]sulfanylmethyl]benzoic acid Traditional Name: 4-[[[6-(2-morpholinoethylamino)-1,3-benzothiazol-2-yl]thio]methyl]benzoic acid Formula: C21H23N3O3S2 MolecularWeight: 429.55562

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCNC2=CC3=C(C=C2)N=C(S3)SCC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1COCCN1CCNC2=CC3=C(C=C2)N=C(S3)SCC4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C21H23N3O3S2/c25-20(26)16-3-1-15(2-4-16)14-28-21-23-18-6-5-17(13-19(18)29-21)22-7-8-24-9-11-27-12-10-24/h1-6,13,22H,7-12,14H2,(H,25,26)