methyl 6-(4-bromophenyl)-7-thia-5-azaspiro[2.4]hept-5-ene-4-carboxylate

Systemtic Name: methyl 6-(4-bromophenyl)-7-thia-5-azaspiro[2.4]hept-5-ene-4-carboxylate Openeye Name: methyl 6-(4-bromophenyl)-7-thia-5-azaspiro[2.4]hept-5-ene-4-carboxylate CAS Name: 6-(4-bromophenyl)-7-thia-5-azaspiro[2.4]hept-5-ene-4-carboxylic acid methyl ester IUPAC Name: methyl 6-(4-bromophenyl)-7-thia-5-azaspiro[2.4]hept-5-ene-4-carboxylate Traditional Name: 6-(4-bromophenyl)-7-thia-5-azaspiro[2.4]hept-5-ene-4-carboxylic acid methyl ester Formula: C13H12BrNO2S MolecularWeight: 326.20888

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C2(CC2)SC(=N1)C3=CC=C(C=C3)Br

Isomeric SMILES

COC(=O)C1C2(CC2)SC(=N1)C3=CC=C(C=C3)Br

InChI

InChI=1S/C13H12BrNO2S/c1-17-12(16)10-13(6-7-13)18-11(15-10)8-2-4-9(14)5-3-8/h2-5,10H,6-7H2,1H3