(3,3-dimethyl-2-oxidanylidene-butyl) 3-phenyl-2-(thiophen-2-ylcarbonylamino)propanoate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 3-phenyl-2-(thiophen-2-ylcarbonylamino)propanoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 3-phenyl-2-(thiophene-2-carbonylamino)propanoate CAS Name: 2-[[oxo(thiophen-2-yl)methyl]amino]-3-phenylpropanoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 3-phenyl-2-(thiophene-2-carbonylamino)propanoate Traditional Name: 3-phenyl-2-(2-thenoylamino)propionic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C20H23NO4S MolecularWeight: 373.46592

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)COC(=O)C(CC1=CC=CC=C1)NC(=O)C2=CC=CS2

Isomeric SMILES

CC(C)(C)C(=O)COC(=O)C(CC1=CC=CC=C1)NC(=O)C2=CC=CS2

InChI

InChI=1S/C20H23NO4S/c1-20(2,3)17(22)13-25-19(24)15(12-14-8-5-4-6-9-14)21-18(23)16-10-7-11-26-16/h4-11,15H,12-13H2,1-3H3,(H,21,23)