methyl 7-[(3-acetamido-3-thiophen-2-yl-propanoyl)amino]heptanoate

Systemtic Name: methyl 7-[(3-acetamido-3-thiophen-2-yl-propanoyl)amino]heptanoate Openeye Name: methyl 7-[[3-acetamido-3-(2-thienyl)propanoyl]amino]heptanoate CAS Name: 7-[(3-acetamido-1-oxo-3-thiophen-2-ylpropyl)amino]heptanoic acid methyl ester IUPAC Name: methyl 7-[(3-acetamido-3-thiophen-2-ylpropanoyl)amino]heptanoate Traditional Name: 7-[[3-acetamido-3-(2-thienyl)propanoyl]amino]enanthic acid methyl ester Formula: C17H26N2O4S MolecularWeight: 354.46434

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC(=O)NCCCCCCC(=O)OC)C1=CC=CS1

Isomeric SMILES

CC(=O)NC(CC(=O)NCCCCCCC(=O)OC)C1=CC=CS1

InChI

InChI=1S/C17H26N2O4S/c1-13(20)19-14(15-8-7-11-24-15)12-16(21)18-10-6-4-3-5-9-17(22)23-2/h7-8,11,14H,3-6,9-10,12H2,1-2H3,(H,18,21)(H,19,20)