4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanylmethyl)-2-(3,4-dimethoxyphenyl)-1,3-thiazole

Systemtic Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanylmethyl)-2-(3,4-dimethoxyphenyl)-1,3-thiazole Openeye Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanylmethyl)-2-(3,4-dimethoxyphenyl)thiazole CAS Name: 4-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)methyl]-2-(3,4-dimethoxyphenyl)thiazole IUPAC Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanylmethyl)-2-(3,4-dimethoxyphenyl)-1,3-thiazole Traditional Name: 4-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)methyl]-2-(3,4-dimethoxyphenyl)thiazole Formula: C21H21NO4S2 MolecularWeight: 415.52574

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC(=CS2)CSC3=CC4=C(C=C3)OCCCO4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC(=CS2)CSC3=CC4=C(C=C3)OCCCO4)OC

InChI

InChI=1S/C21H21NO4S2/c1-23-17-6-4-14(10-19(17)24-2)21-22-15(13-28-21)12-27-16-5-7-18-20(11-16)26-9-3-8-25-18/h4-7,10-11,13H,3,8-9,12H2,1-2H3