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

Systemtic Name: 3-[(4-chlorophenyl)methoxy]-5-(3-imidazol-1-ylpropylcarbamoylamino)-1,2-thiazole-4-carboxylic acid Openeye Name: 3-[(4-chlorophenyl)methoxy]-5-(3-imidazol-1-ylpropylcarbamoylamino)isothiazole-4-carboxylic acid CAS Name: 3-[(4-chlorophenyl)methoxy]-5-[[[3-(1-imidazolyl)propylamino]-oxomethyl]amino]-4-isothiazolecarboxylic acid IUPAC Name: 3-[(4-chlorophenyl)methoxy]-5-(3-imidazol-1-ylpropylcarbamoylamino)-1,2-thiazole-4-carboxylic acid Traditional Name: 3-(4-chlorobenzyl)oxy-5-(3-imidazol-1-ylpropylcarbamoylamino)isothiazole-4-carboxylic acid Formula: C18H18ClN5O4S MolecularWeight: 435.88462

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1COC2=NSC(=C2C(=O)O)NC(=O)NCCCN3C=CN=C3)Cl

Isomeric SMILES

C1=CC(=CC=C1COC2=NSC(=C2C(=O)O)NC(=O)NCCCN3C=CN=C3)Cl

InChI

InChI=1S/C18H18ClN5O4S/c19-13-4-2-12(3-5-13)10-28-15-14(17(25)26)16(29-23-15)22-18(27)21-6-1-8-24-9-7-20-11-24/h2-5,7,9,11H,1,6,8,10H2,(H,25,26)(H2,21,22,27)