prop-2-enyl 3-azido-8-oxidanylidene-7-(2-thiophen-2-ylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: prop-2-enyl 3-azido-8-oxidanylidene-7-(2-thiophen-2-ylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: allyl 3-azido-8-oxo-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 3-azido-8-oxo-7-[(1-oxo-2-thiophen-2-ylethyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid prop-2-enyl ester IUPAC Name: prop-2-enyl 3-azido-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 3-azido-8-keto-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid allyl ester Formula: C16H15N5O4S2 MolecularWeight: 405.4514

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC(=O)C1=C(CSC2N1C(=O)C2NC(=O)CC3=CC=CS3)N=[N+]=[N-]

Isomeric SMILES

C=CCOC(=O)C1=C(CSC2N1C(=O)C2NC(=O)CC3=CC=CS3)N=[N+]=[N-]

InChI

InChI=1S/C16H15N5O4S2/c1-2-5-25-16(24)13-10(19-20-17)8-27-15-12(14(23)21(13)15)18-11(22)7-9-4-3-6-26-9/h2-4,6,12,15H,1,5,7-8H2,(H,18,22)