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

Systemtic Name: methyl 5-methylsulfanyl-4-[2-[(4-phenoxyphenyl)amino]-1,3-thiazol-4-yl]thiophene-2-carboxylate hydrobromide Openeye Name: methyl 5-methylsulfanyl-4-[2-(4-phenoxyanilino)thiazol-4-yl]thiophene-2-carboxylate hydrobromide CAS Name: 5-(methylthio)-4-[2-(4-phenoxyanilino)-4-thiazolyl]-2-thiophenecarboxylic acid methyl ester hydrobromide IUPAC Name: methyl 5-methylsulfanyl-4-[2-(4-phenoxyanilino)-1,3-thiazol-4-yl]thiophene-2-carboxylate hydrobromide Traditional Name: 5-(methylthio)-4-[2-(4-phenoxyanilino)thiazol-4-yl]thiophene-2-carboxylic acid methyl ester hydrobromide Formula: C22H19BrN2O3S3 MolecularWeight: 535.49686

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(S1)SC)C2=CSC(=N2)NC3=CC=C(C=C3)OC4=CC=CC=C4.Br

Isomeric SMILES

COC(=O)C1=CC(=C(S1)SC)C2=CSC(=N2)NC3=CC=C(C=C3)OC4=CC=CC=C4.Br

InChI

InChI=1S/C22H18N2O3S3.BrH/c1-26-20(25)19-12-17(21(28-2)30-19)18-13-29-22(24-18)23-14-8-10-16(11-9-14)27-15-6-4-3-5-7-15;/h3-13H,1-2H3,(H,23,24);1H