3-(2-oxidanylidene-3H-benzimidazol-1-yl)propyl 2-[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]sulfanylpropanoate

Systemtic Name: 3-(2-oxidanylidene-3H-benzimidazol-1-yl)propyl 2-[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]sulfanylpropanoate Openeye Name: 3-(2-oxo-3H-benzimidazol-1-yl)propyl 2-[2-(4-fluoroanilino)-2-oxo-ethyl]sulfanylpropanoate CAS Name: 2-[[2-(4-fluoroanilino)-2-oxoethyl]thio]propanoic acid 3-(2-oxo-3H-benzimidazol-1-yl)propyl ester IUPAC Name: 3-(2-oxo-3H-benzimidazol-1-yl)propyl 2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylpropanoate Traditional Name: 2-[[2-(4-fluoroanilino)-2-keto-ethyl]thio]propionic acid 3-(2-keto-3H-benzimidazol-1-yl)propyl ester Formula: C21H22FN3O4S MolecularWeight: 431.480483

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCCCN1C2=CC=CC=C2NC1=O)SCC(=O)NC3=CC=C(C=C3)F

Isomeric SMILES

CC(C(=O)OCCCN1C2=CC=CC=C2NC1=O)SCC(=O)NC3=CC=C(C=C3)F

InChI

InChI=1S/C21H22FN3O4S/c1-14(30-13-19(26)23-16-9-7-15(22)8-10-16)20(27)29-12-4-11-25-18-6-3-2-5-17(18)24-21(25)28/h2-3,5-10,14H,4,11-13H2,1H3,(H,23,26)(H,24,28)