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

Systemtic Name: 3-pentylsulfanyl-5-(thiophen-2-ylmethylcarbamoylamino)-1,2-thiazole-4-carboxylic acid Openeye Name: 3-pentylsulfanyl-5-(2-thienylmethylcarbamoylamino)isothiazole-4-carboxylic acid CAS Name: 5-[[oxo-(thiophen-2-ylmethylamino)methyl]amino]-3-(pentylthio)-4-isothiazolecarboxylic acid IUPAC Name: 3-pentylsulfanyl-5-(thiophen-2-ylmethylcarbamoylamino)-1,2-thiazole-4-carboxylic acid Traditional Name: 3-(amylthio)-5-(2-thenylcarbamoylamino)isothiazole-4-carboxylic acid Formula: C15H19N3O3S3 MolecularWeight: 385.52466

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC1=NSC(=C1C(=O)O)NC(=O)NCC2=CC=CS2

Isomeric SMILES

CCCCCSC1=NSC(=C1C(=O)O)NC(=O)NCC2=CC=CS2

InChI

InChI=1S/C15H19N3O3S3/c1-2-3-4-7-23-13-11(14(19)20)12(24-18-13)17-15(21)16-9-10-6-5-8-22-10/h5-6,8H,2-4,7,9H2,1H3,(H,19,20)(H2,16,17,21)