methyl 5-methylsulfanyl-4-(2-phenylazanyl-1,3-thiazol-4-yl)thiophene-2-carboxylate hydrobromide

Systemtic Name: methyl 5-methylsulfanyl-4-(2-phenylazanyl-1,3-thiazol-4-yl)thiophene-2-carboxylate hydrobromide Openeye Name: methyl 4-(2-anilinothiazol-4-yl)-5-methylsulfanyl-thiophene-2-carboxylate hydrobromide CAS Name: 4-(2-anilino-4-thiazolyl)-5-(methylthio)-2-thiophenecarboxylic acid methyl ester hydrobromide IUPAC Name: methyl 4-(2-anilino-1,3-thiazol-4-yl)-5-methylsulfanylthiophene-2-carboxylate hydrobromide Traditional Name: 4-(2-anilinothiazol-4-yl)-5-(methylthio)thiophene-2-carboxylic acid methyl ester hydrobromide Formula: C16H15BrN2O2S3 MolecularWeight: 443.4015

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14N2O2S3.BrH/c1-20-14(19)13-8-11(15(21-2)23-13)12-9-22-16(18-12)17-10-6-4-3-5-7-10;/h3-9H,1-2H3,(H,17,18);1H