methyl 4-[[(3-acetamido-3-thiophen-2-yl-propanoyl)-methyl-amino]methyl]benzoate

Systemtic Name: methyl 4-[[(3-acetamido-3-thiophen-2-yl-propanoyl)-methyl-amino]methyl]benzoate Openeye Name: methyl 4-[[[3-acetamido-3-(2-thienyl)propanoyl]-methyl-amino]methyl]benzoate CAS Name: 4-[[(3-acetamido-1-oxo-3-thiophen-2-ylpropyl)-methylamino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[(3-acetamido-3-thiophen-2-ylpropanoyl)-methylamino]methyl]benzoate Traditional Name: 4-[[[3-acetamido-3-(2-thienyl)propanoyl]-methyl-amino]methyl]benzoic acid methyl ester Formula: C19H22N2O4S MolecularWeight: 374.45398

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC(=O)N(C)CC1=CC=C(C=C1)C(=O)OC)C2=CC=CS2

Isomeric SMILES

CC(=O)NC(CC(=O)N(C)CC1=CC=C(C=C1)C(=O)OC)C2=CC=CS2

InChI

InChI=1S/C19H22N2O4S/c1-13(22)20-16(17-5-4-10-26-17)11-18(23)21(2)12-14-6-8-15(9-7-14)19(24)25-3/h4-10,16H,11-12H2,1-3H3,(H,20,22)