methyl 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]ethanoyloxy]-3-oxidanylidene-butanoate

Systemtic Name: methyl 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]ethanoyloxy]-3-oxidanylidene-butanoate Openeye Name: methyl 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-[2-[(3,5-dimethylisoxazol-4-yl)methylsulfanyl]acetyl]oxy-3-oxo-butanoate CAS Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-[2-[(3,5-dimethyl-4-isoxazolyl)methylthio]-1-oxoethoxy]-3-oxobutanoic acid methyl ester IUPAC Name: methyl 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetyl]oxy-3-oxobutanoate Traditional Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-[2-[(3,5-dimethylisoxazol-4-yl)methylthio]acetyl]oxy-3-keto-butyric acid methyl ester Formula: C20H21N3O6S MolecularWeight: 431.46224

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)CSCC(=O)OCC(=O)C(=C2NC3=CC=CC=C3N2)C(=O)OC

Isomeric SMILES

CC1=C(C(=NO1)C)CSCC(=O)OCC(=O)C(=C2NC3=CC=CC=C3N2)C(=O)OC

InChI

InChI=1S/C20H21N3O6S/c1-11-13(12(2)29-23-11)9-30-10-17(25)28-8-16(24)18(20(26)27-3)19-21-14-6-4-5-7-15(14)22-19/h4-7,21-22H,8-10H2,1-3H3