4-[(4-methyl-1,4-diazepan-1-yl)methyl]-1,3-thiazole-2-carboxylic acid

Systemtic Name: 4-[(4-methyl-1,4-diazepan-1-yl)methyl]-1,3-thiazole-2-carboxylic acid Openeye Name: 4-[(4-methyl-1,4-diazepan-1-yl)methyl]thiazole-2-carboxylic acid CAS Name: 4-[(4-methyl-1,4-diazepan-1-yl)methyl]-2-thiazolecarboxylic acid IUPAC Name: 4-[(4-methyl-1,4-diazepan-1-yl)methyl]-1,3-thiazole-2-carboxylic acid Traditional Name: 4-[(4-methyl-1,4-diazepan-1-yl)methyl]thiazole-2-carboxylic acid Formula: C11H17N3O2S MolecularWeight: 255.33658

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCN(CC1)CC2=CSC(=N2)C(=O)O

Isomeric SMILES

CN1CCCN(CC1)CC2=CSC(=N2)C(=O)O

InChI

InChI=1S/C11H17N3O2S/c1-13-3-2-4-14(6-5-13)7-9-8-17-10(12-9)11(15)16/h8H,2-7H2,1H3,(H,15,16)