3-[(5-chloranylthiophen-2-yl)methoxy]-5-[(2-methyl-3-oxidanyl-propyl)carbamoylamino]-1,2-thiazole-4-carboxylic acid

Systemtic Name: 3-[(5-chloranylthiophen-2-yl)methoxy]-5-[(2-methyl-3-oxidanyl-propyl)carbamoylamino]-1,2-thiazole-4-carboxylic acid Openeye Name: 3-[(5-chloro-2-thienyl)methoxy]-5-[(3-hydroxy-2-methyl-propyl)carbamoylamino]isothiazole-4-carboxylic acid CAS Name: 3-[(5-chloro-2-thiophenyl)methoxy]-5-[[[(3-hydroxy-2-methylpropyl)amino]-oxomethyl]amino]-4-isothiazolecarboxylic acid IUPAC Name: 3-[(5-chlorothiophen-2-yl)methoxy]-5-[(3-hydroxy-2-methylpropyl)carbamoylamino]-1,2-thiazole-4-carboxylic acid Traditional Name: 3-[(5-chloro-2-thienyl)methoxy]-5-[(3-hydroxy-2-methyl-propyl)carbamoylamino]isothiazole-4-carboxylic acid Formula: C14H16ClN3O5S2 MolecularWeight: 405.87694

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC(=O)NC1=C(C(=NS1)OCC2=CC=C(S2)Cl)C(=O)O)CO

Isomeric SMILES

CC(CNC(=O)NC1=C(C(=NS1)OCC2=CC=C(S2)Cl)C(=O)O)CO

InChI

InChI=1S/C14H16ClN3O5S2/c1-7(5-19)4-16-14(22)17-12-10(13(20)21)11(18-25-12)23-6-8-2-3-9(15)24-8/h2-3,7,19H,4-6H2,1H3,(H,20,21)(H2,16,17,22)