(6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate

Systemtic Name: (6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate Openeye Name: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl 4-methyl-2-phenyl-thiazole-5-carboxylate CAS Name: 4-methyl-2-phenyl-5-thiazolecarboxylic acid (6-chloro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate Traditional Name: 4-methyl-2-phenyl-thiazole-5-carboxylic acid (6-chloro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C20H16ClNO4S MolecularWeight: 401.86334

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)C2=CC=CC=C2)C(=O)OCC3=C4C(=CC(=C3)Cl)COCO4

Isomeric SMILES

CC1=C(SC(=N1)C2=CC=CC=C2)C(=O)OCC3=C4C(=CC(=C3)Cl)COCO4

InChI

InChI=1S/C20H16ClNO4S/c1-12-18(27-19(22-12)13-5-3-2-4-6-13)20(23)25-10-15-8-16(21)7-14-9-24-11-26-17(14)15/h2-8H,9-11H2,1H3