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

Systemtic Name: 3-[(4-chlorophenyl)methoxy]-5-(3-oxidanylpropylcarbamoylamino)-1,2-thiazole-4-carboxylic acid Openeye Name: 3-[(4-chlorophenyl)methoxy]-5-(3-hydroxypropylcarbamoylamino)isothiazole-4-carboxylic acid CAS Name: 3-[(4-chlorophenyl)methoxy]-5-[[(3-hydroxypropylamino)-oxomethyl]amino]-4-isothiazolecarboxylic acid IUPAC Name: 3-[(4-chlorophenyl)methoxy]-5-(3-hydroxypropylcarbamoylamino)-1,2-thiazole-4-carboxylic acid Traditional Name: 3-(4-chlorobenzyl)oxy-5-(3-hydroxypropylcarbamoylamino)isothiazole-4-carboxylic acid Formula: C15H16ClN3O5S MolecularWeight: 385.82264

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1COC2=NSC(=C2C(=O)O)NC(=O)NCCCO)Cl

Isomeric SMILES

C1=CC(=CC=C1COC2=NSC(=C2C(=O)O)NC(=O)NCCCO)Cl

InChI

InChI=1S/C15H16ClN3O5S/c16-10-4-2-9(3-5-10)8-24-12-11(14(21)22)13(25-19-12)18-15(23)17-6-1-7-20/h2-5,20H,1,6-8H2,(H,21,22)(H2,17,18,23)