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

Systemtic Name: methyl 2-[2-[(3-acetamido-3-thiophen-2-yl-propanoyl)-methyl-amino]ethanoylamino]benzoate Openeye Name: methyl 2-[[2-[[3-acetamido-3-(2-thienyl)propanoyl]-methyl-amino]acetyl]amino]benzoate CAS Name: 2-[[2-[(3-acetamido-1-oxo-3-thiophen-2-ylpropyl)-methylamino]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-[(3-acetamido-3-thiophen-2-ylpropanoyl)-methylamino]acetyl]amino]benzoate Traditional Name: 2-[[2-[[3-acetamido-3-(2-thienyl)propanoyl]-methyl-amino]acetyl]amino]benzoic acid methyl ester Formula: C20H23N3O5S MolecularWeight: 417.47872

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC(=O)N(C)CC(=O)NC1=CC=CC=C1C(=O)OC)C2=CC=CS2

Isomeric SMILES

CC(=O)NC(CC(=O)N(C)CC(=O)NC1=CC=CC=C1C(=O)OC)C2=CC=CS2

InChI

InChI=1S/C20H23N3O5S/c1-13(24)21-16(17-9-6-10-29-17)11-19(26)23(2)12-18(25)22-15-8-5-4-7-14(15)20(27)28-3/h4-10,16H,11-12H2,1-3H3,(H,21,24)(H,22,25)