4-carbonobromidoylpiperidine-1-carboxylic acid; 5-methyl-3-thiabicyclo[2.1.0]penta-1,4-diene

Systemtic Name: 4-carbonobromidoylpiperidine-1-carboxylic acid; 5-methyl-3-thiabicyclo[2.1.0]penta-1,4-diene Openeye Name: 4-bromocarbonylpiperidine-1-carboxylic acid; 5-methyl-3-thiabicyclo[2.1.0]penta-1,4-diene CAS Name: 4-carbonobromidoyl-1-piperidinecarboxylic acid; 5-methyl-3-thiabicyclo[2.1.0]penta-1,4-diene IUPAC Name: 4-carbonobromidoylpiperidine-1-carboxylic acid; 5-methyl-3-thiabicyclo[2.1.0]penta-1,4-diene Traditional Name: 4-bromocarbonylpiperidine-1-carboxylic acid; 5-methyl-3-thiabicyclo[2.1.0]penta-1,4-diene Formula: C12H14BrNO3S MolecularWeight: 332.21346

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C1=CS2.C1CN(CCC1C(=O)Br)C(=O)O

Isomeric SMILES

CC1=C2C1=CS2.C1CN(CCC1C(=O)Br)C(=O)O

InChI

InChI=1S/C7H10BrNO3.C5H4S/c8-6(10)5-1-3-9(4-2-5)7(11)12;1-3-4-2-6-5(3)4/h5H,1-4H2,(H,11,12);2H,1H3