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

Systemtic Name: tert-butyl 7-(2-cyanoethanoylamino)-3-ethenyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: tert-butyl 7-[(2-cyanoacetyl)amino]-8-oxo-3-vinyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 7-[(2-cyano-1-oxoethyl)amino]-3-ethenyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 7-[(2-cyanoacetyl)amino]-3-ethenyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 7-[(2-cyanoacetyl)amino]-8-keto-3-vinyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid tert-butyl ester Formula: C16H19N3O4S MolecularWeight: 349.40476

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=C(CSC2N1C(=O)C2NC(=O)CC#N)C=C

Isomeric SMILES

CC(C)(C)OC(=O)C1=C(CSC2N1C(=O)C2NC(=O)CC#N)C=C

InChI

InChI=1S/C16H19N3O4S/c1-5-9-8-24-14-11(18-10(20)6-7-17)13(21)19(14)12(9)15(22)23-16(2,3)4/h5,11,14H,1,6,8H2,2-4H3,(H,18,20)