3-(2-oxidanylidene-3H-benzimidazol-1-yl)propyl 2-(2,5-dimethylphenyl)sulfanylethanoate

Systemtic Name: 3-(2-oxidanylidene-3H-benzimidazol-1-yl)propyl 2-(2,5-dimethylphenyl)sulfanylethanoate Openeye Name: 3-(2-oxo-3H-benzimidazol-1-yl)propyl 2-(2,5-dimethylphenyl)sulfanylacetate CAS Name: 2-[(2,5-dimethylphenyl)thio]acetic acid 3-(2-oxo-3H-benzimidazol-1-yl)propyl ester IUPAC Name: 3-(2-oxo-3H-benzimidazol-1-yl)propyl 2-(2,5-dimethylphenyl)sulfanylacetate Traditional Name: 2-[(2,5-dimethylphenyl)thio]acetic acid 3-(2-keto-3H-benzimidazol-1-yl)propyl ester Formula: C20H22N2O3S MolecularWeight: 370.46528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)SCC(=O)OCCCN2C3=CC=CC=C3NC2=O

Isomeric SMILES

CC1=CC(=C(C=C1)C)SCC(=O)OCCCN2C3=CC=CC=C3NC2=O

InChI

InChI=1S/C20H22N2O3S/c1-14-8-9-15(2)18(12-14)26-13-19(23)25-11-5-10-22-17-7-4-3-6-16(17)21-20(22)24/h3-4,6-9,12H,5,10-11,13H2,1-2H3,(H,21,24)