quinolin-8-ylmethyl 4-(1,3-thiazol-4-ylmethylsulfanyl)benzoate

Systemtic Name: quinolin-8-ylmethyl 4-(1,3-thiazol-4-ylmethylsulfanyl)benzoate Openeye Name: 8-quinolylmethyl 4-(thiazol-4-ylmethylsulfanyl)benzoate CAS Name: 4-(4-thiazolylmethylthio)benzoic acid 8-quinolinylmethyl ester IUPAC Name: quinolin-8-ylmethyl 4-(1,3-thiazol-4-ylmethylsulfanyl)benzoate Traditional Name: 4-(thiazol-4-ylmethylthio)benzoic acid 8-quinolylmethyl ester Formula: C21H16N2O2S2 MolecularWeight: 392.49394

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)COC(=O)C3=CC=C(C=C3)SCC4=CSC=N4)N=CC=C2

Isomeric SMILES

C1=CC2=C(C(=C1)COC(=O)C3=CC=C(C=C3)SCC4=CSC=N4)N=CC=C2

InChI

InChI=1S/C21H16N2O2S2/c24-21(25-11-17-4-1-3-15-5-2-10-22-20(15)17)16-6-8-19(9-7-16)27-13-18-12-26-14-23-18/h1-10,12,14H,11,13H2