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

Systemtic Name: methyl 4-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-5-methylsulfanyl-thiophene-2-carboxylate Openeye Name: methyl 4-[4-(3-bromophenyl)thiazol-2-yl]-5-methylsulfanyl-thiophene-2-carboxylate CAS Name: 4-[4-(3-bromophenyl)-2-thiazolyl]-5-(methylthio)-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-5-methylsulfanylthiophene-2-carboxylate Traditional Name: 4-[4-(3-bromophenyl)thiazol-2-yl]-5-(methylthio)thiophene-2-carboxylic acid methyl ester Formula: C16H12BrNO2S3 MolecularWeight: 426.37098

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(S1)SC)C2=NC(=CS2)C3=CC(=CC=C3)Br

Isomeric SMILES

COC(=O)C1=CC(=C(S1)SC)C2=NC(=CS2)C3=CC(=CC=C3)Br

InChI

InChI=1S/C16H12BrNO2S3/c1-20-15(19)13-7-11(16(21-2)23-13)14-18-12(8-22-14)9-4-3-5-10(17)6-9/h3-8H,1-2H3