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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)COC(=O)C3=CSC(=N3)C4=CC=CC=C4)Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)COC(=O)C3=CSC(=N3)C4=CC=CC=C4)Cl)OC1

InChI

InChI=1S/C20H16ClNO4S/c21-15-9-13(10-17-18(15)25-8-4-7-24-17)11-26-20(23)16-12-27-19(22-16)14-5-2-1-3-6-14/h1-3,5-6,9-10,12H,4,7-8,11H2