3-[3-(4-azanylbut-2-ynyl)pyridin-4-yl]sulfanyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: 3-[3-(4-azanylbut-2-ynyl)pyridin-4-yl]sulfanyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: 3-[[3-(4-aminobut-2-ynyl)-4-pyridyl]sulfanyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 3-[[3-(4-aminobut-2-ynyl)-4-pyridinyl]thio]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate IUPAC Name: 3-[3-(4-aminobut-2-ynyl)pyridin-4-yl]sulfanyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 3-[[3-(4-aminobut-2-ynyl)-4-pyridyl]thio]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Formula: C16H14N3O3S2- MolecularWeight: 360.43066

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Descriptors Computed from Structure

Canonical SMILES:

C1C2N(C1=O)C(=C(CS2)SC3=C(C=NC=C3)CC#CCN)C(=O)[O-]

Isomeric SMILES

C1C2N(C1=O)C(=C(CS2)SC3=C(C=NC=C3)CC#CCN)C(=O)[O-]

InChI

InChI=1S/C16H15N3O3S2/c17-5-2-1-3-10-8-18-6-4-11(10)24-12-9-23-14-7-13(20)19(14)15(12)16(21)22/h4,6,8,14H,3,5,7,9,17H2,(H,21,22)/p-1