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

Systemtic Name: 3-[2-[(2,3-dimethylphenyl)amino]-1,3-thiazol-4-yl]-6-hexyl-7-oxidanyl-chromen-2-one Openeye Name: 3-[2-(2,3-dimethylanilino)thiazol-4-yl]-6-hexyl-7-hydroxy-chromen-2-one CAS Name: 3-[2-(2,3-dimethylanilino)-4-thiazolyl]-6-hexyl-7-hydroxy-1-benzopyran-2-one IUPAC Name: 3-[2-(2,3-dimethylanilino)-1,3-thiazol-4-yl]-6-hexyl-7-hydroxychromen-2-one Traditional Name: 3-[2-(2,3-dimethylanilino)thiazol-4-yl]-6-hexyl-7-hydroxy-coumarin Formula: C26H28N2O3S MolecularWeight: 448.57712

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)NC4=CC=CC(=C4C)C)O

Isomeric SMILES

CCCCCCC1=C(C=C2C(=C1)C=C(C(=O)O2)C3=CSC(=N3)NC4=CC=CC(=C4C)C)O

InChI

InChI=1S/C26H28N2O3S/c1-4-5-6-7-10-18-12-19-13-20(25(30)31-24(19)14-23(18)29)22-15-32-26(28-22)27-21-11-8-9-16(2)17(21)3/h8-9,11-15,29H,4-7,10H2,1-3H3,(H,27,28)