methyl 2-(2-oxidanylideneazepan-3-yl)sulfanylethanoate

Systemtic Name: methyl 2-(2-oxidanylideneazepan-3-yl)sulfanylethanoate Openeye Name: methyl 2-(2-oxoazepan-3-yl)sulfanylacetate CAS Name: 2-[(2-oxo-3-azepanyl)thio]acetic acid methyl ester IUPAC Name: methyl 2-(2-oxoazepan-3-yl)sulfanylacetate Traditional Name: 2-[(2-ketoazepan-3-yl)thio]acetic acid methyl ester Formula: C9H15NO3S MolecularWeight: 217.2853

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC1CCCCNC1=O

Isomeric SMILES

COC(=O)CSC1CCCCNC1=O

InChI

InChI=1S/C9H15NO3S/c1-13-8(11)6-14-7-4-2-3-5-10-9(7)12/h7H,2-6H2,1H3,(H,10,12)