7,7-bis(1,3-benzothiazol-2-yl)heptanoic acid

Systemtic Name: 7,7-bis(1,3-benzothiazol-2-yl)heptanoic acid Openeye Name: 7,7-bis(1,3-benzothiazol-2-yl)heptanoic acid CAS Name: 7,7-bis(1,3-benzothiazol-2-yl)heptanoic acid IUPAC Name: 7,7-bis(1,3-benzothiazol-2-yl)heptanoic acid Traditional Name: 7,7-bis(1,3-benzothiazol-2-yl)enanthic acid Formula: C21H20N2O2S2 MolecularWeight: 396.5257

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C(CCCCCC(=O)O)C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)C(CCCCCC(=O)O)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H20N2O2S2/c24-19(25)13-3-1-2-8-14(20-22-15-9-4-6-11-17(15)26-20)21-23-16-10-5-7-12-18(16)27-21/h4-7,9-12,14H,1-3,8,13H2,(H,24,25)