2-[(2-methylpropan-2-yl)oxycarbonyl]-1,4-thiazepine-3-carboxylic acid

Systemtic Name: 2-[(2-methylpropan-2-yl)oxycarbonyl]-1,4-thiazepine-3-carboxylic acid Openeye Name: 2-tert-butoxycarbonyl-1,4-thiazepine-3-carboxylic acid CAS Name: 2-[(2-methylpropan-2-yl)oxy-oxomethyl]-1,4-thiazepine-3-carboxylic acid IUPAC Name: 2-[(2-methylpropan-2-yl)oxycarbonyl]-1,4-thiazepine-3-carboxylic acid Traditional Name: 2-tert-butoxycarbonyl-1,4-thiazepine-3-carboxylic acid Formula: C11H13NO4S MolecularWeight: 255.29022

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=C(N=CC=CS1)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)C1=C(N=CC=CS1)C(=O)O

InChI

InChI=1S/C11H13NO4S/c1-11(2,3)16-10(15)8-7(9(13)14)12-5-4-6-17-8/h4-6H,1-3H3,(H,13,14)