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

Systemtic Name: 4-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-5-methylsulfanyl-thiophene-2-carboxylate Openeye Name: 4-[4-(3-bromophenyl)thiazol-2-yl]-5-methylsulfanyl-thiophene-2-carboxylate CAS Name: 4-[4-(3-bromophenyl)-2-thiazolyl]-5-(methylthio)-2-thiophenecarboxylate IUPAC Name: 4-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-5-methylsulfanylthiophene-2-carboxylate Traditional Name: 4-[4-(3-bromophenyl)thiazol-2-yl]-5-(methylthio)-2-thenoate Formula: C15H9BrNO2S3- MolecularWeight: 411.33646

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(S1)C(=O)[O-])C2=NC(=CS2)C3=CC(=CC=C3)Br

Isomeric SMILES

CSC1=C(C=C(S1)C(=O)[O-])C2=NC(=CS2)C3=CC(=CC=C3)Br

InChI

InChI=1S/C15H10BrNO2S3/c1-20-15-10(6-12(22-15)14(18)19)13-17-11(7-21-13)8-3-2-4-9(16)5-8/h2-7H,1H3,(H,18,19)/p-1