5-[(heptan-2-ylcarbamoylamino)methyl]thiophene-2-carboxylic acid

Systemtic Name: 5-[(heptan-2-ylcarbamoylamino)methyl]thiophene-2-carboxylic acid Openeye Name: 5-[(1-methylhexylcarbamoylamino)methyl]thiophene-2-carboxylic acid CAS Name: 5-[[[(heptan-2-ylamino)-oxomethyl]amino]methyl]-2-thiophenecarboxylic acid IUPAC Name: 5-[(heptan-2-ylcarbamoylamino)methyl]thiophene-2-carboxylic acid Traditional Name: 5-[(1-methylhexylcarbamoylamino)methyl]-2-thenoic acid Formula: C14H22N2O3S MolecularWeight: 298.40108

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)NC(=O)NCC1=CC=C(S1)C(=O)O

Isomeric SMILES

CCCCCC(C)NC(=O)NCC1=CC=C(S1)C(=O)O

InChI

InChI=1S/C14H22N2O3S/c1-3-4-5-6-10(2)16-14(19)15-9-11-7-8-12(20-11)13(17)18/h7-8,10H,3-6,9H2,1-2H3,(H,17,18)(H2,15,16,19)