2-[(6-benzamido-1,3-benzothiazol-2-yl)sulfanyl]pentanoic acid

Systemtic Name: 2-[(6-benzamido-1,3-benzothiazol-2-yl)sulfanyl]pentanoic acid Openeye Name: 2-[(6-benzamido-1,3-benzothiazol-2-yl)sulfanyl]pentanoic acid CAS Name: 2-[(6-benzamido-1,3-benzothiazol-2-yl)thio]pentanoic acid IUPAC Name: 2-[(6-benzamido-1,3-benzothiazol-2-yl)sulfanyl]pentanoic acid Traditional Name: 2-[(6-benzamido-1,3-benzothiazol-2-yl)thio]valeric acid Formula: C19H18N2O3S2 MolecularWeight: 386.48782

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)O)SC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CCCC(C(=O)O)SC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C19H18N2O3S2/c1-2-6-15(18(23)24)25-19-21-14-10-9-13(11-16(14)26-19)20-17(22)12-7-4-3-5-8-12/h3-5,7-11,15H,2,6H2,1H3,(H,20,22)(H,23,24)