dimethyl 5-[3-[(2-chloranyl-6-fluoranyl-phenyl)methyl-methyl-amino]propanoylamino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 5-[3-[(2-chloranyl-6-fluoranyl-phenyl)methyl-methyl-amino]propanoylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-[3-[(2-chloro-6-fluoro-phenyl)methyl-methyl-amino]propanoylamino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[3-[(2-chloro-6-fluorophenyl)methyl-methylamino]-1-oxopropyl]amino]-3-methylthiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[3-[(2-chloro-6-fluorophenyl)methyl-methylamino]propanoylamino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[3-[(2-chloro-6-fluoro-benzyl)-methyl-amino]propanoylamino]-3-methyl-thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C20H22ClFN2O5S MolecularWeight: 456.915483

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)CCN(C)CC2=C(C=CC=C2Cl)F)C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)CCN(C)CC2=C(C=CC=C2Cl)F)C(=O)OC

InChI

InChI=1S/C20H22ClFN2O5S/c1-11-16(19(26)28-3)18(30-17(11)20(27)29-4)23-15(25)8-9-24(2)10-12-13(21)6-5-7-14(12)22/h5-7H,8-10H2,1-4H3,(H,23,25)