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

Systemtic Name: methyl 5-methylsulfanyl-4-[2-[(4-phenoxyphenyl)amino]-1,3-thiazol-4-yl]thiophene-2-carboxylate Openeye Name: methyl 5-methylsulfanyl-4-[2-(4-phenoxyanilino)thiazol-4-yl]thiophene-2-carboxylate CAS Name: 5-(methylthio)-4-[2-(4-phenoxyanilino)-4-thiazolyl]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-methylsulfanyl-4-[2-(4-phenoxyanilino)-1,3-thiazol-4-yl]thiophene-2-carboxylate Traditional Name: 5-(methylthio)-4-[2-(4-phenoxyanilino)thiazol-4-yl]thiophene-2-carboxylic acid methyl ester Formula: C22H18N2O3S3 MolecularWeight: 454.58492

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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)OC4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC(=C(S1)SC)C2=CSC(=N2)NC3=CC=C(C=C3)OC4=CC=CC=C4

InChI

InChI=1S/C22H18N2O3S3/c1-26-20(25)19-12-17(21(28-2)30-19)18-13-29-22(24-18)23-14-8-10-16(11-9-14)27-15-6-4-3-5-7-15/h3-13H,1-2H3,(H,23,24)