3-[(5-chloranylthiophen-2-yl)methoxy]-5-(2-oxidanylpropylcarbamoylamino)-1,2-thiazole-4-carboxylic acid

Systemtic Name: 3-[(5-chloranylthiophen-2-yl)methoxy]-5-(2-oxidanylpropylcarbamoylamino)-1,2-thiazole-4-carboxylic acid Openeye Name: 3-[(5-chloro-2-thienyl)methoxy]-5-(2-hydroxypropylcarbamoylamino)isothiazole-4-carboxylic acid CAS Name: 3-[(5-chloro-2-thiophenyl)methoxy]-5-[[(2-hydroxypropylamino)-oxomethyl]amino]-4-isothiazolecarboxylic acid IUPAC Name: 3-[(5-chlorothiophen-2-yl)methoxy]-5-(2-hydroxypropylcarbamoylamino)-1,2-thiazole-4-carboxylic acid Traditional Name: 3-[(5-chloro-2-thienyl)methoxy]-5-(2-hydroxypropylcarbamoylamino)isothiazole-4-carboxylic acid Formula: C13H14ClN3O5S2 MolecularWeight: 391.85036

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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)O

Isomeric SMILES

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

InChI

InChI=1S/C13H14ClN3O5S2/c1-6(18)4-15-13(21)16-11-9(12(19)20)10(17-24-11)22-5-7-2-3-8(14)23-7/h2-3,6,18H,4-5H2,1H3,(H,19,20)(H2,15,16,21)