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

Systemtic Name: 5-(cyclopropylmethylcarbamoylamino)-3-[(3,4-dichlorophenyl)methylsulfanyl]-1,2-thiazole-4-carboxylic acid Openeye Name: 5-(cyclopropylmethylcarbamoylamino)-3-[(3,4-dichlorophenyl)methylsulfanyl]isothiazole-4-carboxylic acid CAS Name: 5-[[(cyclopropylmethylamino)-oxomethyl]amino]-3-[(3,4-dichlorophenyl)methylthio]-4-isothiazolecarboxylic acid IUPAC Name: 5-(cyclopropylmethylcarbamoylamino)-3-[(3,4-dichlorophenyl)methylsulfanyl]-1,2-thiazole-4-carboxylic acid Traditional Name: 5-(cyclopropylmethylcarbamoylamino)-3-[(3,4-dichlorobenzyl)thio]isothiazole-4-carboxylic acid Formula: C16H15Cl2N3O3S2 MolecularWeight: 432.3446

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1CNC(=O)NC2=C(C(=NS2)SCC3=CC(=C(C=C3)Cl)Cl)C(=O)O

Isomeric SMILES

C1CC1CNC(=O)NC2=C(C(=NS2)SCC3=CC(=C(C=C3)Cl)Cl)C(=O)O

InChI

InChI=1S/C16H15Cl2N3O3S2/c17-10-4-3-9(5-11(10)18)7-25-14-12(15(22)23)13(26-21-14)20-16(24)19-6-8-1-2-8/h3-5,8H,1-2,6-7H2,(H,22,23)(H2,19,20,24)