5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanylmethyl)-3-methyl-1,2-oxazole

Systemtic Name: 5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanylmethyl)-3-methyl-1,2-oxazole Openeye Name: 5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanylmethyl)-3-methyl-isoxazole CAS Name: 5-[(2,3-dihydro-1,4-benzodioxin-6-ylthio)methyl]-3-methylisoxazole IUPAC Name: 5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanylmethyl)-3-methyl-1,2-oxazole Traditional Name: 5-[(2,3-dihydro-1,4-benzodioxin-6-ylthio)methyl]-3-methyl-isoxazole Formula: C13H13NO3S MolecularWeight: 263.31222

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1)CSC2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CC1=NOC(=C1)CSC2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C13H13NO3S/c1-9-6-10(17-14-9)8-18-11-2-3-12-13(7-11)16-5-4-15-12/h2-3,6-7H,4-5,8H2,1H3