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

Systemtic Name: methyl 5-methylsulfanyl-4-[2-[[4-(phenylmethyl)phenyl]amino]-1,3-thiazol-4-yl]thiophene-2-carboxylate Openeye Name: methyl 4-[2-(4-benzylanilino)thiazol-4-yl]-5-methylsulfanyl-thiophene-2-carboxylate CAS Name: 5-(methylthio)-4-[2-[4-(phenylmethyl)anilino]-4-thiazolyl]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-[2-(4-benzylanilino)-1,3-thiazol-4-yl]-5-methylsulfanylthiophene-2-carboxylate Traditional Name: 4-[2-(4-benzylanilino)thiazol-4-yl]-5-(methylthio)thiophene-2-carboxylic acid methyl ester Formula: C23H20N2O2S3 MolecularWeight: 452.6121

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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)CC4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC(=C(S1)SC)C2=CSC(=N2)NC3=CC=C(C=C3)CC4=CC=CC=C4

InChI

InChI=1S/C23H20N2O2S3/c1-27-21(26)20-13-18(22(28-2)30-20)19-14-29-23(25-19)24-17-10-8-16(9-11-17)12-15-6-4-3-5-7-15/h3-11,13-14H,12H2,1-2H3,(H,24,25)