6-[methyl(thiophen-2-ylmethyl)amino]-6-oxidanylidene-hexanoic acid

Systemtic Name: 6-[methyl(thiophen-2-ylmethyl)amino]-6-oxidanylidene-hexanoic acid Openeye Name: 6-[methyl(2-thienylmethyl)amino]-6-oxo-hexanoic acid CAS Name: 6-[methyl(thiophen-2-ylmethyl)amino]-6-oxohexanoic acid IUPAC Name: 6-[methyl(thiophen-2-ylmethyl)amino]-6-oxohexanoic acid Traditional Name: 6-keto-6-[methyl(2-thenyl)amino]hexanoic acid Formula: C12H17NO3S MolecularWeight: 255.33328

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CS1)C(=O)CCCCC(=O)O

Isomeric SMILES

CN(CC1=CC=CS1)C(=O)CCCCC(=O)O

InChI

InChI=1S/C12H17NO3S/c1-13(9-10-5-4-8-17-10)11(14)6-2-3-7-12(15)16/h4-5,8H,2-3,6-7,9H2,1H3,(H,15,16)