6-hexyl-7-oxidanyl-3-[2-(2-phenylethenyl)-1,3-thiazol-4-yl]chromen-2-one

Systemtic Name: 6-hexyl-7-oxidanyl-3-[2-(2-phenylethenyl)-1,3-thiazol-4-yl]chromen-2-one Openeye Name: 6-hexyl-7-hydroxy-3-(2-styrylthiazol-4-yl)chromen-2-one CAS Name: 6-hexyl-7-hydroxy-3-[2-(2-phenylethenyl)-4-thiazolyl]-1-benzopyran-2-one IUPAC Name: 6-hexyl-7-hydroxy-3-[2-(2-phenylethenyl)-1,3-thiazol-4-yl]chromen-2-one Traditional Name: 6-hexyl-7-hydroxy-3-(2-styrylthiazol-4-yl)coumarin Formula: C26H25NO3S MolecularWeight: 431.5466

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(C=C2C(=C1)C=C(C(=O)O2)C3=CSC(=N3)C=CC4=CC=CC=C4)O

Isomeric SMILES

CCCCCCC1=C(C=C2C(=C1)C=C(C(=O)O2)C3=CSC(=N3)C=CC4=CC=CC=C4)O

InChI

InChI=1S/C26H25NO3S/c1-2-3-4-8-11-19-14-20-15-21(26(29)30-24(20)16-23(19)28)22-17-31-25(27-22)13-12-18-9-6-5-7-10-18/h5-7,9-10,12-17,28H,2-4,8,11H2,1H3