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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)C2=NC(=CS2)CSC3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

COC1=CC=CC(=C1OC)C2=NC(=CS2)CSC3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C21H21NO4S2/c1-23-18-6-3-5-16(20(18)24-2)21-22-14(13-28-21)12-27-15-7-8-17-19(11-15)26-10-4-9-25-17/h3,5-8,11,13H,4,9-10,12H2,1-2H3