2-methylpropyl 6-bromanyl-2-sulfanylidene-1,3-benzoxazole-3-carboxylate

Systemtic Name: 2-methylpropyl 6-bromanyl-2-sulfanylidene-1,3-benzoxazole-3-carboxylate Openeye Name: isobutyl 6-bromo-2-thioxo-1,3-benzoxazole-3-carboxylate CAS Name: 6-bromo-2-sulfanylidene-1,3-benzoxazole-3-carboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 6-bromo-2-sulfanylidene-1,3-benzoxazole-3-carboxylate Traditional Name: 6-bromo-2-thioxo-1,3-benzoxazole-3-carboxylic acid isobutyl ester Formula: C12H12BrNO3S MolecularWeight: 330.19758

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)N1C2=C(C=C(C=C2)Br)OC1=S

Isomeric SMILES

CC(C)COC(=O)N1C2=C(C=C(C=C2)Br)OC1=S

InChI

InChI=1S/C12H12BrNO3S/c1-7(2)6-16-11(15)14-9-4-3-8(13)5-10(9)17-12(14)18/h3-5,7H,6H2,1-2H3