3-ethylsulfanylcarbonyl-7-[2-(furan-2-yl)ethanoylamino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 3-ethylsulfanylcarbonyl-7-[2-(furan-2-yl)ethanoylamino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 3-ethylsulfanylcarbonyl-7-[[2-(2-furyl)acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 3-[(ethylthio)-oxomethyl]-7-[[2-(2-furanyl)-1-oxoethyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 3-ethylsulfanylcarbonyl-7-[[2-(furan-2-yl)acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 3-(ethylthio)carbonyl-7-[[2-(2-furyl)acetyl]amino]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C16H16N2O6S2 MolecularWeight: 396.43804

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Descriptors Computed from Structure

Canonical SMILES:

CCSC(=O)C1=C(N2C(C(C2=O)NC(=O)CC3=CC=CO3)SC1)C(=O)O

Isomeric SMILES

CCSC(=O)C1=C(N2C(C(C2=O)NC(=O)CC3=CC=CO3)SC1)C(=O)O

InChI

InChI=1S/C16H16N2O6S2/c1-2-25-16(23)9-7-26-14-11(13(20)18(14)12(9)15(21)22)17-10(19)6-8-4-3-5-24-8/h3-5,11,14H,2,6-7H2,1H3,(H,17,19)(H,21,22)