3-[5-(4-methylphenyl)-2-phenyl-1,3-thiazol-4-yl]-7-propoxy-chromen-2-one

Systemtic Name: 3-[5-(4-methylphenyl)-2-phenyl-1,3-thiazol-4-yl]-7-propoxy-chromen-2-one Openeye Name: 3-[2-phenyl-5-(p-tolyl)thiazol-4-yl]-7-propoxy-chromen-2-one CAS Name: 3-[5-(4-methylphenyl)-2-phenyl-4-thiazolyl]-7-propoxy-1-benzopyran-2-one IUPAC Name: 3-[5-(4-methylphenyl)-2-phenyl-1,3-thiazol-4-yl]-7-propoxychromen-2-one Traditional Name: 3-[2-phenyl-5-(p-tolyl)thiazol-4-yl]-7-propoxy-coumarin Formula: C28H23NO3S MolecularWeight: 453.55212

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC2=C(C=C1)C=C(C(=O)O2)C3=C(SC(=N3)C4=CC=CC=C4)C5=CC=C(C=C5)C

Isomeric SMILES

CCCOC1=CC2=C(C=C1)C=C(C(=O)O2)C3=C(SC(=N3)C4=CC=CC=C4)C5=CC=C(C=C5)C

InChI

InChI=1S/C28H23NO3S/c1-3-15-31-22-14-13-21-16-23(28(30)32-24(21)17-22)25-26(19-11-9-18(2)10-12-19)33-27(29-25)20-7-5-4-6-8-20/h4-14,16-17H,3,15H2,1-2H3