(3-methylphenyl) 6-bromanyl-2-sulfanylidene-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazole-3-carboxylate

Systemtic Name: (3-methylphenyl) 6-bromanyl-2-sulfanylidene-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazole-3-carboxylate Openeye Name: m-tolyl 6-bromo-2-thioxo-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazole-3-carboxylate CAS Name: 6-bromo-2-sulfanylidene-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazole-3-carboxylic acid (3-methylphenyl) ester IUPAC Name: (3-methylphenyl) 6-bromo-2-sulfanylidene-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazole-3-carboxylate Traditional Name: 6-bromo-2-thioxo-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazole-3-carboxylic acid m-tolyl ester Formula: C15H16BrNO3S MolecularWeight: 370.26144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OC(=O)N2C3CCC(CC3OC2=S)Br

Isomeric SMILES

CC1=CC(=CC=C1)OC(=O)N2C3CCC(CC3OC2=S)Br

InChI

InChI=1S/C15H16BrNO3S/c1-9-3-2-4-11(7-9)19-14(18)17-12-6-5-10(16)8-13(12)20-15(17)21/h2-4,7,10,12-13H,5-6,8H2,1H3