[1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] 3-acetamido-3-thiophen-2-yl-propanoate

Systemtic Name: [1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] 3-acetamido-3-thiophen-2-yl-propanoate Openeye Name: [2-(azepan-1-yl)-1-methyl-2-oxo-ethyl] 3-acetamido-3-(2-thienyl)propanoate CAS Name: 3-acetamido-3-thiophen-2-ylpropanoic acid [1-(1-azepanyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(azepan-1-yl)-1-oxopropan-2-yl] 3-acetamido-3-thiophen-2-ylpropanoate Traditional Name: 3-acetamido-3-(2-thienyl)propionic acid [2-(azepan-1-yl)-2-keto-1-methyl-ethyl] ester Formula: C18H26N2O4S MolecularWeight: 366.47504

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCCCC1)OC(=O)CC(C2=CC=CS2)NC(=O)C

Isomeric SMILES

CC(C(=O)N1CCCCCC1)OC(=O)CC(C2=CC=CS2)NC(=O)C

InChI

InChI=1S/C18H26N2O4S/c1-13(18(23)20-9-5-3-4-6-10-20)24-17(22)12-15(19-14(2)21)16-8-7-11-25-16/h7-8,11,13,15H,3-6,9-10,12H2,1-2H3,(H,19,21)