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

Systemtic Name: methyl 4-[2-[(2-bromanyl-4-methyl-phenyl)amino]-1,3-thiazol-4-yl]-5-methylsulfanyl-thiophene-2-carboxylate Openeye Name: methyl 4-[2-(2-bromo-4-methyl-anilino)thiazol-4-yl]-5-methylsulfanyl-thiophene-2-carboxylate CAS Name: 4-[2-(2-bromo-4-methylanilino)-4-thiazolyl]-5-(methylthio)-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-[2-(2-bromo-4-methylanilino)-1,3-thiazol-4-yl]-5-methylsulfanylthiophene-2-carboxylate Traditional Name: 4-[2-(2-bromo-4-methyl-anilino)thiazol-4-yl]-5-(methylthio)thiophene-2-carboxylic acid methyl ester Formula: C17H15BrN2O2S3 MolecularWeight: 455.4122

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC2=NC(=CS2)C3=C(SC(=C3)C(=O)OC)SC)Br

Isomeric SMILES

CC1=CC(=C(C=C1)NC2=NC(=CS2)C3=C(SC(=C3)C(=O)OC)SC)Br

InChI

InChI=1S/C17H15BrN2O2S3/c1-9-4-5-12(11(18)6-9)19-17-20-13(8-24-17)10-7-14(15(21)22-2)25-16(10)23-3/h4-8H,1-3H3,(H,19,20)