(4-oxidanylidene-4-thiophen-2-yl-butyl) 3-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate

Systemtic Name: (4-oxidanylidene-4-thiophen-2-yl-butyl) 3-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate Openeye Name: [4-oxo-4-(2-thienyl)butyl] 3-(tert-butoxycarbonylamino)benzoate CAS Name: 3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]benzoic acid (4-oxo-4-thiophen-2-ylbutyl) ester IUPAC Name: (4-oxo-4-thiophen-2-ylbutyl) 3-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate Traditional Name: 3-(tert-butoxycarbonylamino)benzoic acid [4-keto-4-(2-thienyl)butyl] ester Formula: C20H23NO5S MolecularWeight: 389.46532

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=CC=CC(=C1)C(=O)OCCCC(=O)C2=CC=CS2

Isomeric SMILES

CC(C)(C)OC(=O)NC1=CC=CC(=C1)C(=O)OCCCC(=O)C2=CC=CS2

InChI

InChI=1S/C20H23NO5S/c1-20(2,3)26-19(24)21-15-8-4-7-14(13-15)18(23)25-11-5-9-16(22)17-10-6-12-27-17/h4,6-8,10,12-13H,5,9,11H2,1-3H3,(H,21,24)