6-bromanyl-3-[(4-methoxyphenyl)sulfanylmethyl]-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-2-one

Systemtic Name: 6-bromanyl-3-[(4-methoxyphenyl)sulfanylmethyl]-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-2-one Openeye Name: 6-bromo-3-[(4-methoxyphenyl)sulfanylmethyl]-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-2-one CAS Name: 6-bromo-3-[[(4-methoxyphenyl)thio]methyl]-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-2-one IUPAC Name: 6-bromo-3-[(4-methoxyphenyl)sulfanylmethyl]-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-2-one Traditional Name: 6-bromo-3-[[(4-methoxyphenyl)thio]methyl]-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-2-one Formula: C15H18BrNO3S MolecularWeight: 372.27732

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)SCN2C3CCC(CC3OC2=O)Br

Isomeric SMILES

COC1=CC=C(C=C1)SCN2C3CCC(CC3OC2=O)Br

InChI

InChI=1S/C15H18BrNO3S/c1-19-11-3-5-12(6-4-11)21-9-17-13-7-2-10(16)8-14(13)20-15(17)18/h3-6,10,13-14H,2,7-9H2,1H3