ethyl 7-methyl-3-(4-methylphenyl)sulfonyl-3-azabicyclo[4.2.0]octa-1(8),5-diene-8-carboxylate

Systemtic Name: ethyl 7-methyl-3-(4-methylphenyl)sulfonyl-3-azabicyclo[4.2.0]octa-1(8),5-diene-8-carboxylate Openeye Name: ethyl 7-methyl-3-(p-tolylsulfonyl)-3-azabicyclo[4.2.0]octa-1(8),5-diene-8-carboxylate CAS Name: 7-methyl-3-(4-methylphenyl)sulfonyl-3-azabicyclo[4.2.0]octa-1(8),5-diene-8-carboxylic acid ethyl ester IUPAC Name: ethyl 7-methyl-3-(4-methylphenyl)sulfonyl-3-azabicyclo[4.2.0]octa-1(8),5-diene-8-carboxylate Traditional Name: 7-methyl-3-tosyl-3-azabicyclo[4.2.0]octa-1(8),5-diene-8-carboxylic acid ethyl ester Formula: C18H21NO4S MolecularWeight: 347.42864

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C2CN(CC=C2C1C)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)C1=C2CN(CC=C2C1C)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C18H21NO4S/c1-4-23-18(20)17-13(3)15-9-10-19(11-16(15)17)24(21,22)14-7-5-12(2)6-8-14/h5-9,13H,4,10-11H2,1-3H3