3-[(4-fluorophenyl)methylsulfanyl]-5-(2-methylpropylcarbamoylamino)-1,2-thiazole-4-carboxylic acid

Systemtic Name: 3-[(4-fluorophenyl)methylsulfanyl]-5-(2-methylpropylcarbamoylamino)-1,2-thiazole-4-carboxylic acid Openeye Name: 3-[(4-fluorophenyl)methylsulfanyl]-5-(isobutylcarbamoylamino)isothiazole-4-carboxylic acid CAS Name: 3-[(4-fluorophenyl)methylthio]-5-[[(2-methylpropylamino)-oxomethyl]amino]-4-isothiazolecarboxylic acid IUPAC Name: 3-[(4-fluorophenyl)methylsulfanyl]-5-(2-methylpropylcarbamoylamino)-1,2-thiazole-4-carboxylic acid Traditional Name: 3-[(4-fluorobenzyl)thio]-5-(isobutylcarbamoylamino)isothiazole-4-carboxylic acid Formula: C16H18FN3O3S2 MolecularWeight: 383.460823

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18FN3O3S2/c1-9(2)7-18-16(23)19-13-12(15(21)22)14(20-25-13)24-8-10-3-5-11(17)6-4-10/h3-6,9H,7-8H2,1-2H3,(H,21,22)(H2,18,19,23)