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

Systemtic Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanylmethyl)-2-(3-methoxyphenyl)-1,3-thiazole Openeye Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanylmethyl)-2-(3-methoxyphenyl)thiazole CAS Name: 4-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)methyl]-2-(3-methoxyphenyl)thiazole IUPAC Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanylmethyl)-2-(3-methoxyphenyl)-1,3-thiazole Traditional Name: 4-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)methyl]-2-(3-methoxyphenyl)thiazole Formula: C20H19NO3S2 MolecularWeight: 385.49976

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19NO3S2/c1-22-16-5-2-4-14(10-16)20-21-15(13-26-20)12-25-17-6-7-18-19(11-17)24-9-3-8-23-18/h2,4-7,10-11,13H,3,8-9,12H2,1H3