3-[4-(4-butoxyphenyl)-1,3-thiazol-2-yl]-6-chloranyl-chromen-2-one

Systemtic Name: 3-[4-(4-butoxyphenyl)-1,3-thiazol-2-yl]-6-chloranyl-chromen-2-one Openeye Name: 3-[4-(4-butoxyphenyl)thiazol-2-yl]-6-chloro-chromen-2-one CAS Name: 3-[4-(4-butoxyphenyl)-2-thiazolyl]-6-chloro-1-benzopyran-2-one IUPAC Name: 3-[4-(4-butoxyphenyl)-1,3-thiazol-2-yl]-6-chlorochromen-2-one Traditional Name: 3-[4-(4-butoxyphenyl)thiazol-2-yl]-6-chloro-coumarin Formula: C22H18ClNO3S MolecularWeight: 411.90122

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C2=CSC(=N2)C3=CC4=C(C=CC(=C4)Cl)OC3=O

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C2=CSC(=N2)C3=CC4=C(C=CC(=C4)Cl)OC3=O

InChI

InChI=1S/C22H18ClNO3S/c1-2-3-10-26-17-7-4-14(5-8-17)19-13-28-21(24-19)18-12-15-11-16(23)6-9-20(15)27-22(18)25/h4-9,11-13H,2-3,10H2,1H3