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

Systemtic Name: 3-[(4-chlorophenyl)methylsulfanyl]-5-(2-oxidanylpropylcarbamoylamino)-1,2-thiazole-4-carboxylic acid Openeye Name: 3-[(4-chlorophenyl)methylsulfanyl]-5-(2-hydroxypropylcarbamoylamino)isothiazole-4-carboxylic acid CAS Name: 3-[(4-chlorophenyl)methylthio]-5-[[(2-hydroxypropylamino)-oxomethyl]amino]-4-isothiazolecarboxylic acid IUPAC Name: 3-[(4-chlorophenyl)methylsulfanyl]-5-(2-hydroxypropylcarbamoylamino)-1,2-thiazole-4-carboxylic acid Traditional Name: 3-[(4-chlorobenzyl)thio]-5-(2-hydroxypropylcarbamoylamino)isothiazole-4-carboxylic acid Formula: C15H16ClN3O4S2 MolecularWeight: 401.88824

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16ClN3O4S2/c1-8(20)6-17-15(23)18-12-11(14(21)22)13(19-25-12)24-7-9-2-4-10(16)5-3-9/h2-5,8,20H,6-7H2,1H3,(H,21,22)(H2,17,18,23)