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

Systemtic Name: 3-[(4-chlorophenyl)methylsulfanyl]-5-(2-oxidanylbutylcarbamoylamino)-1,2-thiazole-4-carboxylic acid Openeye Name: 3-[(4-chlorophenyl)methylsulfanyl]-5-(2-hydroxybutylcarbamoylamino)isothiazole-4-carboxylic acid CAS Name: 3-[(4-chlorophenyl)methylthio]-5-[[(2-hydroxybutylamino)-oxomethyl]amino]-4-isothiazolecarboxylic acid IUPAC Name: 3-[(4-chlorophenyl)methylsulfanyl]-5-(2-hydroxybutylcarbamoylamino)-1,2-thiazole-4-carboxylic acid Traditional Name: 3-[(4-chlorobenzyl)thio]-5-(2-hydroxybutylcarbamoylamino)isothiazole-4-carboxylic acid Formula: C16H18ClN3O4S2 MolecularWeight: 415.91482

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CNC(=O)NC1=C(C(=NS1)SCC2=CC=C(C=C2)Cl)C(=O)O)O

Isomeric SMILES

CCC(CNC(=O)NC1=C(C(=NS1)SCC2=CC=C(C=C2)Cl)C(=O)O)O

InChI

InChI=1S/C16H18ClN3O4S2/c1-2-11(21)7-18-16(24)19-13-12(15(22)23)14(20-26-13)25-8-9-3-5-10(17)6-4-9/h3-6,11,21H,2,7-8H2,1H3,(H,22,23)(H2,18,19,24)