methyl 5-methylsulfanyl-4-[2-[(4-phenylmethoxyphenyl)amino]-1,3-thiazol-4-yl]thiophene-2-carboxylate hydrobromide

Systemtic Name: methyl 5-methylsulfanyl-4-[2-[(4-phenylmethoxyphenyl)amino]-1,3-thiazol-4-yl]thiophene-2-carboxylate hydrobromide Openeye Name: methyl 4-[2-(4-benzyloxyanilino)thiazol-4-yl]-5-methylsulfanyl-thiophene-2-carboxylate hydrobromide CAS Name: 5-(methylthio)-4-[2-(4-phenylmethoxyanilino)-4-thiazolyl]-2-thiophenecarboxylic acid methyl ester hydrobromide IUPAC Name: methyl 5-methylsulfanyl-4-[2-(4-phenylmethoxyanilino)-1,3-thiazol-4-yl]thiophene-2-carboxylate hydrobromide Traditional Name: 4-[2-(4-benzoxyanilino)thiazol-4-yl]-5-(methylthio)thiophene-2-carboxylic acid methyl ester hydrobromide Formula: C23H21BrN2O3S3 MolecularWeight: 549.52344

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(S1)SC)C2=CSC(=N2)NC3=CC=C(C=C3)OCC4=CC=CC=C4.Br

Isomeric SMILES

COC(=O)C1=CC(=C(S1)SC)C2=CSC(=N2)NC3=CC=C(C=C3)OCC4=CC=CC=C4.Br

InChI

InChI=1S/C23H20N2O3S3.BrH/c1-27-21(26)20-12-18(22(29-2)31-20)19-14-30-23(25-19)24-16-8-10-17(11-9-16)28-13-15-6-4-3-5-7-15;/h3-12,14H,13H2,1-2H3,(H,24,25);1H