3-(2-oxidanylidene-3H-benzimidazol-1-yl)propyl 4-(1,3-benzothiazol-2-ylsulfanyl)butanoate

Systemtic Name: 3-(2-oxidanylidene-3H-benzimidazol-1-yl)propyl 4-(1,3-benzothiazol-2-ylsulfanyl)butanoate Openeye Name: 3-(2-oxo-3H-benzimidazol-1-yl)propyl 4-(1,3-benzothiazol-2-ylsulfanyl)butanoate CAS Name: 4-(1,3-benzothiazol-2-ylthio)butanoic acid 3-(2-oxo-3H-benzimidazol-1-yl)propyl ester IUPAC Name: 3-(2-oxo-3H-benzimidazol-1-yl)propyl 4-(1,3-benzothiazol-2-ylsulfanyl)butanoate Traditional Name: 4-(1,3-benzothiazol-2-ylthio)butyric acid 3-(2-keto-3H-benzimidazol-1-yl)propyl ester Formula: C21H21N3O3S2 MolecularWeight: 427.53974

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=O)N2CCCOC(=O)CCCSC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1=CC=C2C(=C1)NC(=O)N2CCCOC(=O)CCCSC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H21N3O3S2/c25-19(11-5-14-28-21-23-16-8-2-4-10-18(16)29-21)27-13-6-12-24-17-9-3-1-7-15(17)22-20(24)26/h1-4,7-10H,5-6,11-14H2,(H,22,26)