7-[[(2E)-2-(2-azanyl-5-chloranyl-1,3-thiazol-4-yl)-2-hydroxyimino-ethanoyl]amino]-3-[3-(2-formamidoethylsulfanylmethyl)pyridin-4-yl]sulfanyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 7-[[(2E)-2-(2-azanyl-5-chloranyl-1,3-thiazol-4-yl)-2-hydroxyimino-ethanoyl]amino]-3-[3-(2-formamidoethylsulfanylmethyl)pyridin-4-yl]sulfanyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-[[(2E)-2-(2-amino-5-chloro-thiazol-4-yl)-2-hydroxyimino-acetyl]amino]-3-[[3-(2-formamidoethylsulfanylmethyl)-4-pyridyl]sulfanyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-[[(2E)-2-(2-amino-5-chloro-4-thiazolyl)-2-hydroxyimino-1-oxoethyl]amino]-3-[[3-[(2-formamidoethylthio)methyl]-4-pyridinyl]thio]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-[[(2E)-2-(2-amino-5-chloro-1,3-thiazol-4-yl)-2-hydroxyiminoacetyl]amino]-3-[3-(2-formamidoethylsulfanylmethyl)pyridin-4-yl]sulfanyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-[[(2E)-2-(2-amino-5-chloro-thiazol-4-yl)-2-hydroximino-acetyl]amino]-3-[[3-[(2-formamidoethylthio)methyl]-4-pyridyl]thio]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C21H20ClN7O6S4 MolecularWeight: 630.1398

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=C(N2C(S1)C(C2=O)NC(=O)C(=NO)C3=C(SC(=N3)N)Cl)C(=O)O)SC4=C(C=NC=C4)CSCCNC=O

Isomeric SMILES

C1C(=C(N2C(S1)C(C2=O)NC(=O)/C(=N/O)/C3=C(SC(=N3)N)Cl)C(=O)O)SC4=C(C=NC=C4)CSCCNC=O

InChI

InChI=1S/C21H20ClN7O6S4/c22-16-12(27-21(23)39-16)13(28-35)17(31)26-14-18(32)29-15(20(33)34)11(7-37-19(14)29)38-10-1-2-24-5-9(10)6-36-4-3-25-8-30/h1-2,5,8,14,19,35H,3-4,6-7H2,(H2,23,27)(H,25,30)(H,26,31)(H,33,34)/b28-13+