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

Systemtic Name: tert-butyl 3-ethenyl-7-[2-(4-nitrophenyl)ethanoylamino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: tert-butyl 7-[[2-(4-nitrophenyl)acetyl]amino]-8-oxo-3-vinyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 3-ethenyl-7-[[2-(4-nitrophenyl)-1-oxoethyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-ethenyl-7-[[2-(4-nitrophenyl)acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 8-keto-7-[[2-(4-nitrophenyl)acetyl]amino]-3-vinyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid tert-butyl ester Formula: C21H23N3O6S MolecularWeight: 445.48882

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=C(CSC2N1C(=O)C2NC(=O)CC3=CC=C(C=C3)[N+](=O)[O-])C=C

Isomeric SMILES

CC(C)(C)OC(=O)C1=C(CSC2N1C(=O)C2NC(=O)CC3=CC=C(C=C3)[N+](=O)[O-])C=C

InChI

InChI=1S/C21H23N3O6S/c1-5-13-11-31-19-16(18(26)23(19)17(13)20(27)30-21(2,3)4)22-15(25)10-12-6-8-14(9-7-12)24(28)29/h5-9,16,19H,1,10-11H2,2-4H3,(H,22,25)