methyl 4-[[2-[2-(4-methylsulfanylphenyl)ethanoylamino]phenyl]amino]-2,5-dihydrothiophene-3-carboxylate

Systemtic Name: methyl 4-[[2-[2-(4-methylsulfanylphenyl)ethanoylamino]phenyl]amino]-2,5-dihydrothiophene-3-carboxylate Openeye Name: methyl 4-[2-[[2-(4-methylsulfanylphenyl)acetyl]amino]anilino]-2,5-dihydrothiophene-3-carboxylate CAS Name: 4-[2-[[2-[4-(methylthio)phenyl]-1-oxoethyl]amino]anilino]-2,5-dihydrothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 4-[2-[[2-(4-methylsulfanylphenyl)acetyl]amino]anilino]-2,5-dihydrothiophene-3-carboxylate Traditional Name: 4-[2-[[2-[4-(methylthio)phenyl]acetyl]amino]anilino]-2,5-dihydrothiophene-3-carboxylic acid methyl ester Formula: C21H22N2O3S2 MolecularWeight: 414.54098

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(CSC1)NC2=CC=CC=C2NC(=O)CC3=CC=C(C=C3)SC

Isomeric SMILES

COC(=O)C1=C(CSC1)NC2=CC=CC=C2NC(=O)CC3=CC=C(C=C3)SC

InChI

InChI=1S/C21H22N2O3S2/c1-26-21(25)16-12-28-13-19(16)22-17-5-3-4-6-18(17)23-20(24)11-14-7-9-15(27-2)10-8-14/h3-10,22H,11-13H2,1-2H3,(H,23,24)