tert-butyl 7-[2-(4-cyanophenyl)ethanoylamino]-4-methoxy-3-methyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: tert-butyl 7-[2-(4-cyanophenyl)ethanoylamino]-4-methoxy-3-methyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: tert-butyl 7-[[2-(4-cyanophenyl)acetyl]amino]-4-methoxy-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 7-[[2-(4-cyanophenyl)-1-oxoethyl]amino]-4-methoxy-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 7-[[2-(4-cyanophenyl)acetyl]amino]-4-methoxy-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 7-[[2-(4-cyanophenyl)acetyl]amino]-8-keto-4-methoxy-3-methyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid tert-butyl ester Formula: C22H25N3O5S MolecularWeight: 443.516

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N2C(C(C2=O)NC(=O)CC3=CC=C(C=C3)C#N)SC1OC)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=C(N2C(C(C2=O)NC(=O)CC3=CC=C(C=C3)C#N)SC1OC)C(=O)OC(C)(C)C

InChI

InChI=1S/C22H25N3O5S/c1-12-17(20(28)30-22(2,3)4)25-18(27)16(19(25)31-21(12)29-5)24-15(26)10-13-6-8-14(11-23)9-7-13/h6-9,16,19,21H,10H2,1-5H3,(H,24,26)