2-(tert-butylsulfonylmethyl)-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1,3-thiazole

Systemtic Name: 2-(tert-butylsulfonylmethyl)-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1,3-thiazole Openeye Name: 2-(tert-butylsulfonylmethyl)-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)thiazole CAS Name: 2-(tert-butylsulfonylmethyl)-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)thiazole IUPAC Name: 2-(tert-butylsulfonylmethyl)-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1,3-thiazole Traditional Name: 2-(tert-butylsulfonylmethyl)-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)thiazole Formula: C17H21NO4S2 MolecularWeight: 367.48294

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)S(=O)(=O)CC1=NC(=CS1)C2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CC(C)(C)S(=O)(=O)CC1=NC(=CS1)C2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C17H21NO4S2/c1-17(2,3)24(19,20)11-16-18-13(10-23-16)12-5-6-14-15(9-12)22-8-4-7-21-14/h5-6,9-10H,4,7-8,11H2,1-3H3