4-methyl-1-[[5-(methylsulfanylmethyl)furan-2-yl]carbonylamino]cyclohexane-1-carboxylic acid

Systemtic Name: 4-methyl-1-[[5-(methylsulfanylmethyl)furan-2-yl]carbonylamino]cyclohexane-1-carboxylic acid Openeye Name: 4-methyl-1-[[5-(methylsulfanylmethyl)furan-2-carbonyl]amino]cyclohexanecarboxylic acid CAS Name: 4-methyl-1-[[[5-[(methylthio)methyl]-2-furanyl]-oxomethyl]amino]-1-cyclohexanecarboxylic acid IUPAC Name: 4-methyl-1-[[5-(methylsulfanylmethyl)furan-2-carbonyl]amino]cyclohexane-1-carboxylic acid Traditional Name: 4-methyl-1-[[5-[(methylthio)methyl]-2-furoyl]amino]cyclohexanecarboxylic acid Formula: C15H21NO4S MolecularWeight: 311.39654

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)(C(=O)O)NC(=O)C2=CC=C(O2)CSC

Isomeric SMILES

CC1CCC(CC1)(C(=O)O)NC(=O)C2=CC=C(O2)CSC

InChI

InChI=1S/C15H21NO4S/c1-10-5-7-15(8-6-10,14(18)19)16-13(17)12-4-3-11(20-12)9-21-2/h3-4,10H,5-9H2,1-2H3,(H,16,17)(H,18,19)