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

Systemtic Name: 3-[(4-chlorophenyl)methoxy]-5-(3-morpholin-4-ylpropylcarbamoylamino)-1,2-thiazole-4-carboxylic acid Openeye Name: 3-[(4-chlorophenyl)methoxy]-5-(3-morpholinopropylcarbamoylamino)isothiazole-4-carboxylic acid CAS Name: 3-[(4-chlorophenyl)methoxy]-5-[[[3-(4-morpholinyl)propylamino]-oxomethyl]amino]-4-isothiazolecarboxylic acid IUPAC Name: 3-[(4-chlorophenyl)methoxy]-5-(3-morpholin-4-ylpropylcarbamoylamino)-1,2-thiazole-4-carboxylic acid Traditional Name: 3-(4-chlorobenzyl)oxy-5-(3-morpholinopropylcarbamoylamino)isothiazole-4-carboxylic acid Formula: C19H23ClN4O5S MolecularWeight: 454.92772

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCCNC(=O)NC2=C(C(=NS2)OCC3=CC=C(C=C3)Cl)C(=O)O

Isomeric SMILES

C1COCCN1CCCNC(=O)NC2=C(C(=NS2)OCC3=CC=C(C=C3)Cl)C(=O)O

InChI

InChI=1S/C19H23ClN4O5S/c20-14-4-2-13(3-5-14)12-29-16-15(18(25)26)17(30-23-16)22-19(27)21-6-1-7-24-8-10-28-11-9-24/h2-5H,1,6-12H2,(H,25,26)(H2,21,22,27)