3-azanyl-2,5,6,7-tetrahydro-1,4-thiazepine-5-carboxylic acid

Systemtic Name: 3-azanyl-2,5,6,7-tetrahydro-1,4-thiazepine-5-carboxylic acid Openeye Name: 3-amino-2,5,6,7-tetrahydro-1,4-thiazepine-5-carboxylic acid CAS Name: 3-amino-2,5,6,7-tetrahydro-1,4-thiazepine-5-carboxylic acid IUPAC Name: 3-amino-2,5,6,7-tetrahydro-1,4-thiazepine-5-carboxylic acid Traditional Name: 3-amino-2,5,6,7-tetrahydro-1,4-thiazepine-5-carboxylic acid Formula: C6H10N2O2S MolecularWeight: 174.2208

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Descriptors Computed from Structure

Canonical SMILES:

C1CSCC(=NC1C(=O)O)N

Isomeric SMILES

C1CSCC(=NC1C(=O)O)N

InChI

InChI=1S/C6H10N2O2S/c7-5-3-11-2-1-4(8-5)6(9)10/h4H,1-3H2,(H2,7,8)(H,9,10)