7-[(E)-2-(6-methylpyridin-3-yl)ethenyl]sulfanyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: 7-[(E)-2-(6-methylpyridin-3-yl)ethenyl]sulfanyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: 7-[(E)-2-(6-methyl-3-pyridyl)vinyl]sulfanyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 7-[[(E)-2-(6-methyl-3-pyridinyl)ethenyl]thio]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate IUPAC Name: 7-[(E)-2-(6-methylpyridin-3-yl)ethenyl]sulfanyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 8-keto-7-[[(E)-2-(6-methyl-3-pyridyl)vinyl]thio]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Formula: C15H13N2O3S2- MolecularWeight: 333.40532

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C=C1)C=CSC2C3N(C2=O)C(=CCS3)C(=O)[O-]

Isomeric SMILES

CC1=NC=C(C=C1)/C=C/SC2C3N(C2=O)C(=CCS3)C(=O)[O-]

InChI

InChI=1S/C15H14N2O3S2/c1-9-2-3-10(8-16-9)4-6-21-12-13(18)17-11(15(19)20)5-7-22-14(12)17/h2-6,8,12,14H,7H2,1H3,(H,19,20)/p-1/b6-4+