dimethyl 5-[2-[(3-fluorophenyl)methyl-methyl-amino]ethanoylamino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 5-[2-[(3-fluorophenyl)methyl-methyl-amino]ethanoylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-[[2-[(3-fluorophenyl)methyl-methyl-amino]acetyl]amino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[2-[(3-fluorophenyl)methyl-methylamino]-1-oxoethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[2-[(3-fluorophenyl)methyl-methylamino]acetyl]amino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[[2-[(3-fluorobenzyl)-methyl-amino]acetyl]amino]-3-methyl-thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C19H21FN2O5S MolecularWeight: 408.443843

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)CN(C)CC2=CC(=CC=C2)F)C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)CN(C)CC2=CC(=CC=C2)F)C(=O)OC

InChI

InChI=1S/C19H21FN2O5S/c1-11-15(18(24)26-3)17(28-16(11)19(25)27-4)21-14(23)10-22(2)9-12-6-5-7-13(20)8-12/h5-8H,9-10H2,1-4H3,(H,21,23)