dimethyl 5-[(4-methylsulfanylphenyl)methylcarbamoylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[(4-methylsulfanylphenyl)methylcarbamoylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[(4-methylsulfanylphenyl)methylcarbamoylamino]benzene-1,3-dicarboxylate CAS Name: 5-[[[[4-(methylthio)phenyl]methylamino]-oxomethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[(4-methylsulfanylphenyl)methylcarbamoylamino]benzene-1,3-dicarboxylate Traditional Name: 5-[[4-(methylthio)benzyl]carbamoylamino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C19H20N2O5S MolecularWeight: 388.4375

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=O)NCC2=CC=C(C=C2)SC)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=O)NCC2=CC=C(C=C2)SC)C(=O)OC

InChI

InChI=1S/C19H20N2O5S/c1-25-17(22)13-8-14(18(23)26-2)10-15(9-13)21-19(24)20-11-12-4-6-16(27-3)7-5-12/h4-10H,11H2,1-3H3,(H2,20,21,24)