2-(4,7-dimethyl-3-oxidanylidene-1,4-thiazepan-2-yl)ethanoic acid

Systemtic Name: 2-(4,7-dimethyl-3-oxidanylidene-1,4-thiazepan-2-yl)ethanoic acid Openeye Name: 2-(4,7-dimethyl-3-oxo-1,4-thiazepan-2-yl)acetic acid CAS Name: 2-(4,7-dimethyl-3-oxo-1,4-thiazepan-2-yl)acetic acid IUPAC Name: 2-(4,7-dimethyl-3-oxo-1,4-thiazepan-2-yl)acetic acid Traditional Name: 2-(3-keto-4,7-dimethyl-1,4-thiazepan-2-yl)acetic acid Formula: C9H15NO3S MolecularWeight: 217.2853

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(C(=O)C(S1)CC(=O)O)C

Isomeric SMILES

CC1CCN(C(=O)C(S1)CC(=O)O)C

InChI

InChI=1S/C9H15NO3S/c1-6-3-4-10(2)9(13)7(14-6)5-8(11)12/h6-7H,3-5H2,1-2H3,(H,11,12)