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

Systemtic Name: tert-butyl 3-carbonazidoyl-8-oxidanylidene-7-(2-thiophen-3-ylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylate Openeye Name: tert-butyl 3-carbonazidoyl-8-oxo-7-[[2-(3-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylate CAS Name: 3-carbonazidoyl-8-oxo-7-[[1-oxo-2-(3-thiophenyl)ethyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-carbonazidoyl-8-oxo-7-[(2-thiophen-3-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylate Traditional Name: 3-carbonazidoyl-8-keto-7-[[2-(3-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid tert-butyl ester Formula: C18H19N5O5S2 MolecularWeight: 449.50396

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1C(=CSC2N1C(=O)C2NC(=O)CC3=CSC=C3)C(=O)N=[N+]=[N-]

Isomeric SMILES

CC(C)(C)OC(=O)C1C(=CSC2N1C(=O)C2NC(=O)CC3=CSC=C3)C(=O)N=[N+]=[N-]

InChI

InChI=1S/C18H19N5O5S2/c1-18(2,3)28-17(27)13-10(14(25)21-22-19)8-30-16-12(15(26)23(13)16)20-11(24)6-9-4-5-29-7-9/h4-5,7-8,12-13,16H,6H2,1-3H3,(H,20,24)