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

Systemtic Name: 7-[[2-(2-azanyl-5-chloranyl-1,3-thiazol-4-yl)-2-(oxidanylamino)ethanoyl]amino]-3-[4-(2-azanylethylsulfanylmethyl)pyridin-3-yl]sulfanyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-[[2-(2-amino-5-chloro-thiazol-4-yl)-2-(hydroxyamino)acetyl]amino]-3-[[4-(2-aminoethylsulfanylmethyl)-3-pyridyl]sulfanyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-[[2-(2-amino-5-chloro-4-thiazolyl)-2-(hydroxyamino)-1-oxoethyl]amino]-3-[[4-[(2-aminoethylthio)methyl]-3-pyridinyl]thio]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-[[2-(2-amino-5-chloro-1,3-thiazol-4-yl)-2-(hydroxyamino)acetyl]amino]-3-[4-(2-aminoethylsulfanylmethyl)pyridin-3-yl]sulfanyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-[[2-(2-amino-5-chloro-thiazol-4-yl)-2-(hydroxyamino)acetyl]amino]-3-[[4-[(2-aminoethylthio)methyl]-3-pyridyl]thio]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C20H22ClN7O5S4 MolecularWeight: 604.14558

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22ClN7O5S4/c21-15-11(26-20(23)37-15)12(27-33)16(29)25-13-17(30)28-14(19(31)32)10(7-35-18(13)28)36-9-5-24-3-1-8(9)6-34-4-2-22/h1,3,5,12-13,18,27,33H,2,4,6-7,22H2,(H2,23,26)(H,25,29)(H,31,32)