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

Systemtic Name: methyl 5-methylsulfanyl-4-[2-[(4-phenylazanylphenyl)amino]-1,3-thiazol-4-yl]thiophene-2-carboxylate Openeye Name: methyl 4-[2-(4-anilinoanilino)thiazol-4-yl]-5-methylsulfanyl-thiophene-2-carboxylate CAS Name: 4-[2-(4-anilinoanilino)-4-thiazolyl]-5-(methylthio)-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-[2-(4-anilinoanilino)-1,3-thiazol-4-yl]-5-methylsulfanylthiophene-2-carboxylate Traditional Name: 4-[2-(4-anilinoanilino)thiazol-4-yl]-5-(methylthio)thiophene-2-carboxylic acid methyl ester Formula: C22H19N3O2S3 MolecularWeight: 453.60016

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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)NC4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC(=C(S1)SC)C2=CSC(=N2)NC3=CC=C(C=C3)NC4=CC=CC=C4

InChI

InChI=1S/C22H19N3O2S3/c1-27-20(26)19-12-17(21(28-2)30-19)18-13-29-22(25-18)24-16-10-8-15(9-11-16)23-14-6-4-3-5-7-14/h3-13,23H,1-2H3,(H,24,25)