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

Systemtic Name: 3-[3-(2-azanylethoxymethyl)pyridin-4-yl]sulfanyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: 3-[[3-(2-aminoethoxymethyl)-4-pyridyl]sulfanyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 3-[[3-(2-aminoethoxymethyl)-4-pyridinyl]thio]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate IUPAC Name: 3-[3-(2-aminoethoxymethyl)pyridin-4-yl]sulfanyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 3-[[3-(2-aminoethoxymethyl)-4-pyridyl]thio]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Formula: C15H16N3O4S2- MolecularWeight: 366.43524

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Descriptors Computed from Structure

Canonical SMILES:

C1C2N(C1=O)C(=C(CS2)SC3=C(C=NC=C3)COCCN)C(=O)[O-]

Isomeric SMILES

C1C2N(C1=O)C(=C(CS2)SC3=C(C=NC=C3)COCCN)C(=O)[O-]

InChI

InChI=1S/C15H17N3O4S2/c16-2-4-22-7-9-6-17-3-1-10(9)24-11-8-23-13-5-12(19)18(13)14(11)15(20)21/h1,3,6,13H,2,4-5,7-8,16H2,(H,20,21)/p-1