1-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]azepane-2,7-dione

Systemtic Name: 1-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]azepane-2,7-dione Openeye Name: 1-[[4-(chloromethyl)thiazol-2-yl]methyl]azepane-2,7-dione CAS Name: 1-[[4-(chloromethyl)-2-thiazolyl]methyl]azepane-2,7-dione IUPAC Name: 1-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]azepane-2,7-dione Traditional Name: 1-[[4-(chloromethyl)thiazol-2-yl]methyl]azepane-2,7-quinone Formula: C11H13ClN2O2S MolecularWeight: 272.75112

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)N(C(=O)C1)CC2=NC(=CS2)CCl

Isomeric SMILES

C1CCC(=O)N(C(=O)C1)CC2=NC(=CS2)CCl

InChI

InChI=1S/C11H13ClN2O2S/c12-5-8-7-17-9(13-8)6-14-10(15)3-1-2-4-11(14)16/h7H,1-6H2