(6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl 2-(4-ethylphenyl)-1,3-thiazole-4-carboxylate

Systemtic Name: (6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl 2-(4-ethylphenyl)-1,3-thiazole-4-carboxylate Openeye Name: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl 2-(4-ethylphenyl)thiazole-4-carboxylate CAS Name: 2-(4-ethylphenyl)-4-thiazolecarboxylic acid (6-chloro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl 2-(4-ethylphenyl)-1,3-thiazole-4-carboxylate Traditional Name: 2-(4-ethylphenyl)thiazole-4-carboxylic acid (6-chloro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C21H18ClNO4S MolecularWeight: 415.88992

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NC(=CS2)C(=O)OCC3=C4C(=CC(=C3)Cl)COCO4

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NC(=CS2)C(=O)OCC3=C4C(=CC(=C3)Cl)COCO4

InChI

InChI=1S/C21H18ClNO4S/c1-2-13-3-5-14(6-4-13)20-23-18(11-28-20)21(24)26-10-16-8-17(22)7-15-9-25-12-27-19(15)16/h3-8,11H,2,9-10,12H2,1H3