methyl 5-methyl-2-phenyl-6-thia-2,3,8-triazabicyclo[3.2.1]oct-3-ene-4-carboxylate

Systemtic Name: methyl 5-methyl-2-phenyl-6-thia-2,3,8-triazabicyclo[3.2.1]oct-3-ene-4-carboxylate Openeye Name: methyl 5-methyl-2-phenyl-6-thia-2,3,8-triazabicyclo[3.2.1]oct-3-ene-4-carboxylate CAS Name: 5-methyl-2-phenyl-6-thia-2,3,8-triazabicyclo[3.2.1]oct-3-ene-4-carboxylic acid methyl ester IUPAC Name: methyl 5-methyl-2-phenyl-6-thia-2,3,8-triazabicyclo[3.2.1]oct-3-ene-4-carboxylate Traditional Name: 5-methyl-2-phenyl-6-thia-2,3,8-triazabicyclo[3.2.1]oct-3-ene-4-carboxylic acid methyl ester Formula: C13H15N3O2S MolecularWeight: 277.3421

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Descriptors Computed from Structure

Canonical SMILES:

CC12C(=NN(C(N1)CS2)C3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CC12C(=NN(C(N1)CS2)C3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C13H15N3O2S/c1-13-11(12(17)18-2)15-16(10(14-13)8-19-13)9-6-4-3-5-7-9/h3-7,10,14H,8H2,1-2H3