7-[[(2E)-2-cyclopent-2-en-1-yloxyimino-2-(2-formamido-1,3-thiazol-4-yl)ethanoyl]amino]-8-oxidanylidene-3-[[(E)-2-pyridin-3-ylethenyl]sulfanylmethyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 7-[[(2E)-2-cyclopent-2-en-1-yloxyimino-2-(2-formamido-1,3-thiazol-4-yl)ethanoyl]amino]-8-oxidanylidene-3-[[(E)-2-pyridin-3-ylethenyl]sulfanylmethyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-[[(2E)-2-cyclopent-2-en-1-yloxyimino-2-(2-formamidothiazol-4-yl)acetyl]amino]-8-oxo-3-[[(E)-2-(3-pyridyl)vinyl]sulfanylmethyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-[[(2E)-2-(1-cyclopent-2-enyloxyimino)-2-(2-formamido-4-thiazolyl)-1-oxoethyl]amino]-8-oxo-3-[[[(E)-2-(3-pyridinyl)ethenyl]thio]methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-[[(2E)-2-cyclopent-2-en-1-yloxyimino-2-(2-formamido-1,3-thiazol-4-yl)acetyl]amino]-8-oxo-3-[[(E)-2-pyridin-3-ylethenyl]sulfanylmethyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-[[(2E)-2-cyclopent-2-en-1-yloximino-2-(2-formamidothiazol-4-yl)acetyl]amino]-8-keto-3-[[[(E)-2-(3-pyridyl)vinyl]thio]methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C26H24N6O6S3 MolecularWeight: 612.70036

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C=C1)ON=C(C2=CSC(=N2)NC=O)C(=O)NC3C4N(C3=O)C(=C(CS4)CSC=CC5=CN=CC=C5)C(=O)O

Isomeric SMILES

C1CC(C=C1)O/N=C(\C2=CSC(=N2)NC=O)/C(=O)NC3C4N(C3=O)C(=C(CS4)CS/C=C/C5=CN=CC=C5)C(=O)O

InChI

InChI=1S/C26H24N6O6S3/c33-14-28-26-29-18(13-41-26)19(31-38-17-5-1-2-6-17)22(34)30-20-23(35)32-21(25(36)37)16(12-40-24(20)32)11-39-9-7-15-4-3-8-27-10-15/h1,3-5,7-10,13-14,17,20,24H,2,6,11-12H2,(H,30,34)(H,36,37)(H,28,29,33)/b9-7+,31-19+