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

Systemtic Name: 3-[(3,4-dichlorophenyl)methylsulfanyl]-5-(3-oxidanylpropylcarbamoylamino)-1,2-thiazole-4-carboxylic acid Openeye Name: 3-[(3,4-dichlorophenyl)methylsulfanyl]-5-(3-hydroxypropylcarbamoylamino)isothiazole-4-carboxylic acid CAS Name: 3-[(3,4-dichlorophenyl)methylthio]-5-[[(3-hydroxypropylamino)-oxomethyl]amino]-4-isothiazolecarboxylic acid IUPAC Name: 3-[(3,4-dichlorophenyl)methylsulfanyl]-5-(3-hydroxypropylcarbamoylamino)-1,2-thiazole-4-carboxylic acid Traditional Name: 3-[(3,4-dichlorobenzyl)thio]-5-(3-hydroxypropylcarbamoylamino)isothiazole-4-carboxylic acid Formula: C15H15Cl2N3O4S2 MolecularWeight: 436.3333

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1CSC2=NSC(=C2C(=O)O)NC(=O)NCCCO)Cl)Cl

Isomeric SMILES

C1=CC(=C(C=C1CSC2=NSC(=C2C(=O)O)NC(=O)NCCCO)Cl)Cl

InChI

InChI=1S/C15H15Cl2N3O4S2/c16-9-3-2-8(6-10(9)17)7-25-13-11(14(22)23)12(26-20-13)19-15(24)18-4-1-5-21/h2-3,6,21H,1,4-5,7H2,(H,22,23)(H2,18,19,24)