5-(2,5-dihydropyrrol-1-ylcarbonylamino)-3-pentylsulfanyl-1,2-thiazole-4-carboxylic acid

Systemtic Name: 5-(2,5-dihydropyrrol-1-ylcarbonylamino)-3-pentylsulfanyl-1,2-thiazole-4-carboxylic acid Openeye Name: 5-(2,5-dihydropyrrole-1-carbonylamino)-3-pentylsulfanyl-isothiazole-4-carboxylic acid CAS Name: 5-[[2,5-dihydropyrrol-1-yl(oxo)methyl]amino]-3-(pentylthio)-4-isothiazolecarboxylic acid IUPAC Name: 5-(2,5-dihydropyrrole-1-carbonylamino)-3-pentylsulfanyl-1,2-thiazole-4-carboxylic acid Traditional Name: 3-(amylthio)-5-(3-pyrroline-1-carbonylamino)isothiazole-4-carboxylic acid Formula: C14H19N3O3S2 MolecularWeight: 341.44896

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC1=NSC(=C1C(=O)O)NC(=O)N2CC=CC2

Isomeric SMILES

CCCCCSC1=NSC(=C1C(=O)O)NC(=O)N2CC=CC2

InChI

InChI=1S/C14H19N3O3S2/c1-2-3-6-9-21-12-10(13(18)19)11(22-16-12)15-14(20)17-7-4-5-8-17/h4-5H,2-3,6-9H2,1H3,(H,15,20)(H,18,19)