7-[2-[(5-ethoxycarbonyl-4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanoylamino]-8-oxidanylidene-3-[(E)-3-pyridin-1-ium-1-ylprop-1-enyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: 7-[2-[(5-ethoxycarbonyl-4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanoylamino]-8-oxidanylidene-3-[(E)-3-pyridin-1-ium-1-ylprop-1-enyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: 7-[[2-(5-ethoxycarbonyl-4-methyl-thiazol-2-yl)sulfanylacetyl]amino]-8-oxo-3-[(E)-3-pyridin-1-ium-1-ylprop-1-enyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 7-[[2-[(5-ethoxycarbonyl-4-methyl-2-thiazolyl)thio]-1-oxoethyl]amino]-8-oxo-3-[(E)-3-(1-pyridin-1-iumyl)prop-1-enyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate IUPAC Name: 7-[[2-[(5-ethoxycarbonyl-4-methyl-1,3-thiazol-2-yl)sulfanyl]acetyl]amino]-8-oxo-3-[(E)-3-pyridin-1-ium-1-ylprop-1-enyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 7-[[2-[(5-carbethoxy-4-methyl-thiazol-2-yl)thio]acetyl]amino]-8-keto-3-[(E)-3-pyridin-1-ium-1-ylprop-1-enyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Formula: C24H24N4O6S3 MolecularWeight: 560.66556

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(S1)SCC(=O)NC2C3N(C2=O)C(=C(CS3)C=CC[N+]4=CC=CC=C4)C(=O)[O-])C

Isomeric SMILES

CCOC(=O)C1=C(N=C(S1)SCC(=O)NC2C3N(C2=O)C(=C(CS3)/C=C/C[N+]4=CC=CC=C4)C(=O)[O-])C

InChI

InChI=1S/C24H24N4O6S3/c1-3-34-23(33)19-14(2)25-24(37-19)36-13-16(29)26-17-20(30)28-18(22(31)32)15(12-35-21(17)28)8-7-11-27-9-5-4-6-10-27/h4-10,17,21H,3,11-13H2,1-2H3,(H-,26,29,31,32)/b8-7+