[6-hexyl-2-oxidanylidene-3-(4-phenyl-1,3-thiazol-2-yl)chromen-7-yl] ethanoate

Systemtic Name: [6-hexyl-2-oxidanylidene-3-(4-phenyl-1,3-thiazol-2-yl)chromen-7-yl] ethanoate Openeye Name: [6-hexyl-2-oxo-3-(4-phenylthiazol-2-yl)chromen-7-yl] acetate CAS Name: acetic acid [6-hexyl-2-oxo-3-(4-phenyl-2-thiazolyl)-1-benzopyran-7-yl] ester IUPAC Name: [6-hexyl-2-oxo-3-(4-phenyl-1,3-thiazol-2-yl)chromen-7-yl] acetate Traditional Name: acetic acid [6-hexyl-2-keto-3-(4-phenylthiazol-2-yl)chromen-7-yl] ester Formula: C26H25NO4S MolecularWeight: 447.546

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(C=C2C(=C1)C=C(C(=O)O2)C3=NC(=CS3)C4=CC=CC=C4)OC(=O)C

Isomeric SMILES

CCCCCCC1=C(C=C2C(=C1)C=C(C(=O)O2)C3=NC(=CS3)C4=CC=CC=C4)OC(=O)C

InChI

InChI=1S/C26H25NO4S/c1-3-4-5-7-12-19-13-20-14-21(26(29)31-24(20)15-23(19)30-17(2)28)25-27-22(16-32-25)18-10-8-6-9-11-18/h6,8-11,13-16H,3-5,7,12H2,1-2H3