2-[6-(3-oxidanylpropylamino)-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid

Systemtic Name: 2-[6-(3-oxidanylpropylamino)-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid Openeye Name: 2-[6-(3-hydroxypropylamino)-1,3-benzothiazol-2-yl]-4,5-dihydrothiazole-4-carboxylic acid CAS Name: 2-[6-(3-hydroxypropylamino)-1,3-benzothiazol-2-yl]-4,5-dihydrothiazole-4-carboxylic acid IUPAC Name: 2-[6-(3-hydroxypropylamino)-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid Traditional Name: 2-[6-(3-hydroxypropylamino)-1,3-benzothiazol-2-yl]-2-thiazoline-4-carboxylic acid Formula: C14H15N3O3S2 MolecularWeight: 337.4172

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N=C(S1)C2=NC3=C(S2)C=C(C=C3)NCCCO)C(=O)O

Isomeric SMILES

C1C(N=C(S1)C2=NC3=C(S2)C=C(C=C3)NCCCO)C(=O)O

InChI

InChI=1S/C14H15N3O3S2/c18-5-1-4-15-8-2-3-9-11(6-8)22-13(16-9)12-17-10(7-21-12)14(19)20/h2-3,6,10,15,18H,1,4-5,7H2,(H,19,20)