2-[2-[cyclohexen-1-yl(ethyl)amino]-2-oxidanylidene-ethyl]sulfanylethanoic acid

Systemtic Name: 2-[2-[cyclohexen-1-yl(ethyl)amino]-2-oxidanylidene-ethyl]sulfanylethanoic acid Openeye Name: 2-[2-[cyclohexen-1-yl(ethyl)amino]-2-oxo-ethyl]sulfanylacetic acid CAS Name: 2-[[2-[1-cyclohexenyl(ethyl)amino]-2-oxoethyl]thio]acetic acid IUPAC Name: 2-[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl]sulfanylacetic acid Traditional Name: 2-[[2-[cyclohexen-1-yl(ethyl)amino]-2-keto-ethyl]thio]acetic acid Formula: C12H19NO3S MolecularWeight: 257.34916

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CCCCC1)C(=O)CSCC(=O)O

Isomeric SMILES

CCN(C1=CCCCC1)C(=O)CSCC(=O)O

InChI

InChI=1S/C12H19NO3S/c1-2-13(10-6-4-3-5-7-10)11(14)8-17-9-12(15)16/h6H,2-5,7-9H2,1H3,(H,15,16)