3-[(4-chlorophenyl)methylsulfanyl]-5-(5-oxidanylpentylcarbamoylamino)-1,2-thiazole-4-carboxylic acid

Systemtic Name: 3-[(4-chlorophenyl)methylsulfanyl]-5-(5-oxidanylpentylcarbamoylamino)-1,2-thiazole-4-carboxylic acid Openeye Name: 3-[(4-chlorophenyl)methylsulfanyl]-5-(5-hydroxypentylcarbamoylamino)isothiazole-4-carboxylic acid CAS Name: 3-[(4-chlorophenyl)methylthio]-5-[[(5-hydroxypentylamino)-oxomethyl]amino]-4-isothiazolecarboxylic acid IUPAC Name: 3-[(4-chlorophenyl)methylsulfanyl]-5-(5-hydroxypentylcarbamoylamino)-1,2-thiazole-4-carboxylic acid Traditional Name: 3-[(4-chlorobenzyl)thio]-5-(5-hydroxypentylcarbamoylamino)isothiazole-4-carboxylic acid Formula: C17H20ClN3O4S2 MolecularWeight: 429.9414

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSC2=NSC(=C2C(=O)O)NC(=O)NCCCCCO)Cl

Isomeric SMILES

C1=CC(=CC=C1CSC2=NSC(=C2C(=O)O)NC(=O)NCCCCCO)Cl

InChI

InChI=1S/C17H20ClN3O4S2/c18-12-6-4-11(5-7-12)10-26-15-13(16(23)24)14(27-21-15)20-17(25)19-8-2-1-3-9-22/h4-7,22H,1-3,8-10H2,(H,23,24)(H2,19,20,25)