methyl 4-[[2-[methyl(1-thiophen-2-ylethyl)amino]ethanoylamino]methyl]benzoate

Systemtic Name: methyl 4-[[2-[methyl(1-thiophen-2-ylethyl)amino]ethanoylamino]methyl]benzoate Openeye Name: methyl 4-[[[2-[methyl-[1-(2-thienyl)ethyl]amino]acetyl]amino]methyl]benzoate CAS Name: 4-[[[2-[methyl(1-thiophen-2-ylethyl)amino]-1-oxoethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[2-[methyl(1-thiophen-2-ylethyl)amino]acetyl]amino]methyl]benzoate Traditional Name: 4-[[[2-[methyl-[1-(2-thienyl)ethyl]amino]acetyl]amino]methyl]benzoic acid methyl ester Formula: C18H22N2O3S MolecularWeight: 346.44388

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CS1)N(C)CC(=O)NCC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CC(C1=CC=CS1)N(C)CC(=O)NCC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C18H22N2O3S/c1-13(16-5-4-10-24-16)20(2)12-17(21)19-11-14-6-8-15(9-7-14)18(22)23-3/h4-10,13H,11-12H2,1-3H3,(H,19,21)