2-[4-[(4-chlorophenyl)methoxy]-3-morpholin-4-ylcarbothioyl-phenyl]ethanoic acid

Systemtic Name: 2-[4-[(4-chlorophenyl)methoxy]-3-morpholin-4-ylcarbothioyl-phenyl]ethanoic acid Openeye Name: 2-[4-[(4-chlorophenyl)methoxy]-3-(morpholine-4-carbothioyl)phenyl]acetic acid CAS Name: 2-[4-[(4-chlorophenyl)methoxy]-3-[4-morpholinyl(sulfanylidene)methyl]phenyl]acetic acid IUPAC Name: 2-[4-[(4-chlorophenyl)methoxy]-3-(morpholine-4-carbothioyl)phenyl]acetic acid Traditional Name: 2-[4-(4-chlorobenzyl)oxy-3-(morpholine-4-carbothioyl)phenyl]acetic acid Formula: C20H20ClNO4S MolecularWeight: 405.8951

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=S)C2=C(C=CC(=C2)CC(=O)O)OCC3=CC=C(C=C3)Cl

Isomeric SMILES

C1COCCN1C(=S)C2=C(C=CC(=C2)CC(=O)O)OCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H20ClNO4S/c21-16-4-1-14(2-5-16)13-26-18-6-3-15(12-19(23)24)11-17(18)20(27)22-7-9-25-10-8-22/h1-6,11H,7-10,12-13H2,(H,23,24)