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

Systemtic Name: methyl 4-[2-[(4-methylphenyl)methylamino]-1,3-thiazol-4-yl]-5-methylsulfanyl-thiophene-2-carboxylate hydrobromide Openeye Name: methyl 5-methylsulfanyl-4-[2-(p-tolylmethylamino)thiazol-4-yl]thiophene-2-carboxylate hydrobromide CAS Name: 4-[2-[(4-methylphenyl)methylamino]-4-thiazolyl]-5-(methylthio)-2-thiophenecarboxylic acid methyl ester hydrobromide IUPAC Name: methyl 4-[2-[(4-methylphenyl)methylamino]-1,3-thiazol-4-yl]-5-methylsulfanylthiophene-2-carboxylate hydrobromide Traditional Name: 4-[2-[(4-methylbenzyl)amino]thiazol-4-yl]-5-(methylthio)thiophene-2-carboxylic acid methyl ester hydrobromide Formula: C18H19BrN2O2S3 MolecularWeight: 471.45466

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC2=NC(=CS2)C3=C(SC(=C3)C(=O)OC)SC.Br

Isomeric SMILES

CC1=CC=C(C=C1)CNC2=NC(=CS2)C3=C(SC(=C3)C(=O)OC)SC.Br

InChI

InChI=1S/C18H18N2O2S3.BrH/c1-11-4-6-12(7-5-11)9-19-18-20-14(10-24-18)13-8-15(16(21)22-2)25-17(13)23-3;/h4-8,10H,9H2,1-3H3,(H,19,20);1H