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

Systemtic Name: [6-hexyl-3-(2-methyl-1,3-thiazol-4-yl)-2-oxidanylidene-3,4-dihydrochromen-7-yl] ethanoate Openeye Name: [6-hexyl-3-(2-methylthiazol-4-yl)-2-oxo-chroman-7-yl] acetate CAS Name: acetic acid [6-hexyl-3-(2-methyl-4-thiazolyl)-2-oxo-3,4-dihydro-2H-1-benzopyran-7-yl] ester IUPAC Name: [6-hexyl-3-(2-methyl-1,3-thiazol-4-yl)-2-oxo-3,4-dihydrochromen-7-yl] acetate Traditional Name: acetic acid [6-hexyl-2-keto-3-(2-methylthiazol-4-yl)chroman-7-yl] ester Formula: C21H25NO4S MolecularWeight: 387.4925

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO4S/c1-4-5-6-7-8-15-9-16-10-17(18-12-27-13(2)22-18)21(24)26-20(16)11-19(15)25-14(3)23/h9,11-12,17H,4-8,10H2,1-3H3