7-[3-[(2-azanyl-3-oxidanyl-propyl)sulfanylmethyl]pyridin-4-yl]sulfanyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: 7-[3-[(2-azanyl-3-oxidanyl-propyl)sulfanylmethyl]pyridin-4-yl]sulfanyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: 7-[[3-[(2-amino-3-hydroxy-propyl)sulfanylmethyl]-4-pyridyl]sulfanyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 7-[[3-[[(2-amino-3-hydroxypropyl)thio]methyl]-4-pyridinyl]thio]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate IUPAC Name: 7-[3-[(2-amino-3-hydroxypropyl)sulfanylmethyl]pyridin-4-yl]sulfanyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 7-[[3-[[(2-amino-3-hydroxy-propyl)thio]methyl]-4-pyridyl]thio]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Formula: C16H18N3O4S3- MolecularWeight: 412.52682

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Descriptors Computed from Structure

Canonical SMILES:

C1C=C(N2C(S1)C(C2=O)SC3=C(C=NC=C3)CSCC(CO)N)C(=O)[O-]

Isomeric SMILES

C1C=C(N2C(S1)C(C2=O)SC3=C(C=NC=C3)CSCC(CO)N)C(=O)[O-]

InChI

InChI=1S/C16H19N3O4S3/c17-10(6-20)8-24-7-9-5-18-3-1-12(9)26-13-14(21)19-11(16(22)23)2-4-25-15(13)19/h1-3,5,10,13,15,20H,4,6-8,17H2,(H,22,23)/p-1