8-oxidanylidene-3-[(E)-pent-1-en-3-ynyl]-7-(2-thiophen-2-ylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: 8-oxidanylidene-3-[(E)-pent-1-en-3-ynyl]-7-(2-thiophen-2-ylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: 8-oxo-3-[(E)-pent-1-en-3-ynyl]-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 8-oxo-7-[(1-oxo-2-thiophen-2-ylethyl)amino]-3-[(E)-pent-1-en-3-ynyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate IUPAC Name: 8-oxo-3-[(E)-pent-1-en-3-ynyl]-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 8-keto-3-[(E)-pent-1-en-3-ynyl]-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Formula: C18H15N2O4S2- MolecularWeight: 387.4527

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Descriptors Computed from Structure

Canonical SMILES:

CC#CC=CC1=C(N2C(C(C2=O)NC(=O)CC3=CC=CS3)SC1)C(=O)[O-]

Isomeric SMILES

CC#C/C=C/C1=C(N2C(C(C2=O)NC(=O)CC3=CC=CS3)SC1)C(=O)[O-]

InChI

InChI=1S/C18H16N2O4S2/c1-2-3-4-6-11-10-26-17-14(16(22)20(17)15(11)18(23)24)19-13(21)9-12-7-5-8-25-12/h4-8,14,17H,9-10H2,1H3,(H,19,21)(H,23,24)/p-1/b6-4+