dimethyl 2-[[(4-methoxycarbonylphenyl)amino]-(4-methylsulfanylphenyl)methyl]propanedioate

Systemtic Name: dimethyl 2-[[(4-methoxycarbonylphenyl)amino]-(4-methylsulfanylphenyl)methyl]propanedioate Openeye Name: dimethyl 2-[(4-methoxycarbonylanilino)-(4-methylsulfanylphenyl)methyl]propanedioate CAS Name: 2-[(4-methoxycarbonylanilino)-[4-(methylthio)phenyl]methyl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[(4-methoxycarbonylanilino)-(4-methylsulfanylphenyl)methyl]propanedioate Traditional Name: 2-[(4-carbomethoxyanilino)-[4-(methylthio)phenyl]methyl]malonic acid dimethyl ester Formula: C21H23NO6S MolecularWeight: 417.47542

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(C2=CC=C(C=C2)SC)C(C(=O)OC)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(C2=CC=C(C=C2)SC)C(C(=O)OC)C(=O)OC

InChI

InChI=1S/C21H23NO6S/c1-26-19(23)14-5-9-15(10-6-14)22-18(13-7-11-16(29-4)12-8-13)17(20(24)27-2)21(25)28-3/h5-12,17-18,22H,1-4H3