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

Systemtic Name: methyl 4-[2-[(2-bromophenyl)amino]-1,3-thiazol-4-yl]-5-methylsulfanyl-thiophene-2-carboxylate Openeye Name: methyl 4-[2-(2-bromoanilino)thiazol-4-yl]-5-methylsulfanyl-thiophene-2-carboxylate CAS Name: 4-[2-(2-bromoanilino)-4-thiazolyl]-5-(methylthio)-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-[2-(2-bromoanilino)-1,3-thiazol-4-yl]-5-methylsulfanylthiophene-2-carboxylate Traditional Name: 4-[2-(2-bromoanilino)thiazol-4-yl]-5-(methylthio)thiophene-2-carboxylic acid methyl ester Formula: C16H13BrN2O2S3 MolecularWeight: 441.38562

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(S1)SC)C2=CSC(=N2)NC3=CC=CC=C3Br

Isomeric SMILES

COC(=O)C1=CC(=C(S1)SC)C2=CSC(=N2)NC3=CC=CC=C3Br

InChI

InChI=1S/C16H13BrN2O2S3/c1-21-14(20)13-7-9(15(22-2)24-13)12-8-23-16(19-12)18-11-6-4-3-5-10(11)17/h3-8H,1-2H3,(H,18,19)