tert-butyl 2-[(4E)-1-(3-chloranyl-4-methoxy-phenyl)-5-oxidanylidene-4-(thiophen-2-ylmethylidene)imidazol-2-yl]sulfanylethanoate

Systemtic Name: tert-butyl 2-[(4E)-1-(3-chloranyl-4-methoxy-phenyl)-5-oxidanylidene-4-(thiophen-2-ylmethylidene)imidazol-2-yl]sulfanylethanoate Openeye Name: tert-butyl 2-[(4E)-1-(3-chloro-4-methoxy-phenyl)-5-oxo-4-(2-thienylmethylene)imidazol-2-yl]sulfanylacetate CAS Name: 2-[[(4E)-1-(3-chloro-4-methoxyphenyl)-5-oxo-4-(thiophen-2-ylmethylidene)-2-imidazolyl]thio]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[(4E)-1-(3-chloro-4-methoxyphenyl)-5-oxo-4-(thiophen-2-ylmethylidene)imidazol-2-yl]sulfanylacetate Traditional Name: 2-[[(4E)-1-(3-chloro-4-methoxy-phenyl)-5-keto-4-(2-thenylidene)-2-imidazolin-2-yl]thio]acetic acid tert-butyl ester Formula: C21H21ClN2O4S2 MolecularWeight: 464.98544

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CSC1=NC(=CC2=CC=CS2)C(=O)N1C3=CC(=C(C=C3)OC)Cl

Isomeric SMILES

CC(C)(C)OC(=O)CSC1=N/C(=C/C2=CC=CS2)/C(=O)N1C3=CC(=C(C=C3)OC)Cl

InChI

InChI=1S/C21H21ClN2O4S2/c1-21(2,3)28-18(25)12-30-20-23-16(11-14-6-5-9-29-14)19(26)24(20)13-7-8-17(27-4)15(22)10-13/h5-11H,12H2,1-4H3/b16-11+