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

Systemtic Name: methyl 4-[2-[(4-cyclohexylphenyl)amino]-1,3-thiazol-4-yl]-5-methylsulfanyl-thiophene-2-carboxylate Openeye Name: methyl 4-[2-(4-cyclohexylanilino)thiazol-4-yl]-5-methylsulfanyl-thiophene-2-carboxylate CAS Name: 4-[2-(4-cyclohexylanilino)-4-thiazolyl]-5-(methylthio)-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-[2-(4-cyclohexylanilino)-1,3-thiazol-4-yl]-5-methylsulfanylthiophene-2-carboxylate Traditional Name: 4-[2-(4-cyclohexylanilino)thiazol-4-yl]-5-(methylthio)thiophene-2-carboxylic acid methyl ester Formula: C22H24N2O2S3 MolecularWeight: 444.63316

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(S1)SC)C2=CSC(=N2)NC3=CC=C(C=C3)C4CCCCC4

Isomeric SMILES

COC(=O)C1=CC(=C(S1)SC)C2=CSC(=N2)NC3=CC=C(C=C3)C4CCCCC4

InChI

InChI=1S/C22H24N2O2S3/c1-26-20(25)19-12-17(21(27-2)29-19)18-13-28-22(24-18)23-16-10-8-15(9-11-16)14-6-4-3-5-7-14/h8-14H,3-7H2,1-2H3,(H,23,24)