[2-[tert-butyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl] 3-acetamido-3-thiophen-2-yl-propanoate

Systemtic Name: [2-[tert-butyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl] 3-acetamido-3-thiophen-2-yl-propanoate Openeye Name: [2-[benzyl(tert-butyl)amino]-2-oxo-ethyl] 3-acetamido-3-(2-thienyl)propanoate CAS Name: 3-acetamido-3-thiophen-2-ylpropanoic acid [2-[tert-butyl-(phenylmethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[benzyl(tert-butyl)amino]-2-oxoethyl] 3-acetamido-3-thiophen-2-ylpropanoate Traditional Name: 3-acetamido-3-(2-thienyl)propionic acid [2-[benzyl(tert-butyl)amino]-2-keto-ethyl] ester Formula: C22H28N2O4S MolecularWeight: 416.53372

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O4S/c1-16(25)23-18(19-11-8-12-29-19)13-21(27)28-15-20(26)24(22(2,3)4)14-17-9-6-5-7-10-17/h5-12,18H,13-15H2,1-4H3,(H,23,25)