3-(2-oxidanylidene-3H-benzimidazol-1-yl)propyl 2-[2-[(2,4-dimethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylethanoate

Systemtic Name: 3-(2-oxidanylidene-3H-benzimidazol-1-yl)propyl 2-[2-[(2,4-dimethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylethanoate Openeye Name: 3-(2-oxo-3H-benzimidazol-1-yl)propyl 2-[2-(2,4-dimethylanilino)-2-oxo-ethyl]sulfanylacetate CAS Name: 2-[[2-(2,4-dimethylanilino)-2-oxoethyl]thio]acetic acid 3-(2-oxo-3H-benzimidazol-1-yl)propyl ester IUPAC Name: 3-(2-oxo-3H-benzimidazol-1-yl)propyl 2-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanylacetate Traditional Name: 2-[[2-(2,4-dimethylanilino)-2-keto-ethyl]thio]acetic acid 3-(2-keto-3H-benzimidazol-1-yl)propyl ester Formula: C22H25N3O4S MolecularWeight: 427.5166

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)CSCC(=O)OCCCN2C3=CC=CC=C3NC2=O)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)CSCC(=O)OCCCN2C3=CC=CC=C3NC2=O)C

InChI

InChI=1S/C22H25N3O4S/c1-15-8-9-17(16(2)12-15)23-20(26)13-30-14-21(27)29-11-5-10-25-19-7-4-3-6-18(19)24-22(25)28/h3-4,6-9,12H,5,10-11,13-14H2,1-2H3,(H,23,26)(H,24,28)