ethyl 3-(2-acetamido-2-sulfanyl-benzimidazol-4-yl)propanoate

Systemtic Name: ethyl 3-(2-acetamido-2-sulfanyl-benzimidazol-4-yl)propanoate Openeye Name: ethyl 3-(2-acetamido-2-sulfanyl-benzimidazol-4-yl)propanoate CAS Name: 3-(2-acetamido-2-mercapto-4-benzimidazolyl)propanoic acid ethyl ester IUPAC Name: ethyl 3-(2-acetamido-2-sulfanylbenzimidazol-4-yl)propanoate Traditional Name: 3-(2-acetamido-2-mercapto-benzimidazol-4-yl)propionic acid ethyl ester Formula: C14H17N3O3S MolecularWeight: 307.36808

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC1=CC=CC2=NC(N=C21)(NC(=O)C)S

Isomeric SMILES

CCOC(=O)CCC1=CC=CC2=NC(N=C21)(NC(=O)C)S

InChI

InChI=1S/C14H17N3O3S/c1-3-20-12(19)8-7-10-5-4-6-11-13(10)17-14(21,16-11)15-9(2)18/h4-6,21H,3,7-8H2,1-2H3,(H,15,18)