5-(furan-2-ylmethylcarbamoylamino)-3-pentylsulfanyl-1,2-thiazole-4-carboxylic acid

Systemtic Name: 5-(furan-2-ylmethylcarbamoylamino)-3-pentylsulfanyl-1,2-thiazole-4-carboxylic acid Openeye Name: 5-(2-furylmethylcarbamoylamino)-3-pentylsulfanyl-isothiazole-4-carboxylic acid CAS Name: 5-[[(2-furanylmethylamino)-oxomethyl]amino]-3-(pentylthio)-4-isothiazolecarboxylic acid IUPAC Name: 5-(furan-2-ylmethylcarbamoylamino)-3-pentylsulfanyl-1,2-thiazole-4-carboxylic acid Traditional Name: 3-(amylthio)-5-(2-furfurylcarbamoylamino)isothiazole-4-carboxylic acid Formula: C15H19N3O4S2 MolecularWeight: 369.45906

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC1=NSC(=C1C(=O)O)NC(=O)NCC2=CC=CO2

Isomeric SMILES

CCCCCSC1=NSC(=C1C(=O)O)NC(=O)NCC2=CC=CO2

InChI

InChI=1S/C15H19N3O4S2/c1-2-3-4-8-23-13-11(14(19)20)12(24-18-13)17-15(21)16-9-10-6-5-7-22-10/h5-7H,2-4,8-9H2,1H3,(H,19,20)(H2,16,17,21)