3-(2-oxidanylidene-3H-benzimidazol-1-yl)propyl 2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzoate

Systemtic Name: 3-(2-oxidanylidene-3H-benzimidazol-1-yl)propyl 2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzoate Openeye Name: 3-(2-oxo-3H-benzimidazol-1-yl)propyl 2-[(2-methylthiazol-4-yl)methylsulfanyl]benzoate CAS Name: 2-[(2-methyl-4-thiazolyl)methylthio]benzoic acid 3-(2-oxo-3H-benzimidazol-1-yl)propyl ester IUPAC Name: 3-(2-oxo-3H-benzimidazol-1-yl)propyl 2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzoate Traditional Name: 2-[(2-methylthiazol-4-yl)methylthio]benzoic acid 3-(2-keto-3H-benzimidazol-1-yl)propyl ester Formula: C22H21N3O3S2 MolecularWeight: 439.55044

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)CSC2=CC=CC=C2C(=O)OCCCN3C4=CC=CC=C4NC3=O

Isomeric SMILES

CC1=NC(=CS1)CSC2=CC=CC=C2C(=O)OCCCN3C4=CC=CC=C4NC3=O

InChI

InChI=1S/C22H21N3O3S2/c1-15-23-16(13-29-15)14-30-20-10-5-2-7-17(20)21(26)28-12-6-11-25-19-9-4-3-8-18(19)24-22(25)27/h2-5,7-10,13H,6,11-12,14H2,1H3,(H,24,27)