7-[[(2Z)-2-(6-azanyl-3-chloranyl-1H-pyridin-2-ylidene)-2-nitroso-ethanoyl]amino]-3-[[4-(2-azanylethylsulfanylmethyl)-1,2-thiazol-5-yl]sulfanyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 7-[[(2Z)-2-(6-azanyl-3-chloranyl-1H-pyridin-2-ylidene)-2-nitroso-ethanoyl]amino]-3-[[4-(2-azanylethylsulfanylmethyl)-1,2-thiazol-5-yl]sulfanyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-[[(2Z)-2-(6-amino-3-chloro-1H-pyridin-2-ylidene)-2-nitroso-acetyl]amino]-3-[4-(2-aminoethylsulfanylmethyl)isothiazol-5-yl]sulfanyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-[[(2Z)-2-(6-amino-3-chloro-1H-pyridin-2-ylidene)-2-nitroso-1-oxoethyl]amino]-3-[[4-[(2-aminoethylthio)methyl]-5-isothiazolyl]thio]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-[[(2Z)-2-(6-amino-3-chloro-1H-pyridin-2-ylidene)-2-nitrosoacetyl]amino]-3-[[4-(2-aminoethylsulfanylmethyl)-1,2-thiazol-5-yl]sulfanyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-[[(2Z)-2-(6-amino-3-chloro-1H-pyridin-2-ylidene)-2-nitroso-acetyl]amino]-3-[[4-[(2-aminoethylthio)methyl]isothiazol-5-yl]thio]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C20H20ClN7O5S4 MolecularWeight: 602.1297

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(=C(N2C(S1)C(C2=O)NC(=O)C(=C3C(=CC=C(N3)N)Cl)N=O)C(=O)O)SC4=C(C=NS4)CSCCN

Isomeric SMILES

C1C(=C(N2C(S1)C(C2=O)NC(=O)/C(=C/3\C(=CC=C(N3)N)Cl)/N=O)C(=O)O)SC4=C(C=NS4)CSCCN

InChI

InChI=1S/C20H20ClN7O5S4/c21-9-1-2-11(23)25-12(9)13(27-33)16(29)26-14-17(30)28-15(19(31)32)10(7-35-18(14)28)36-20-8(5-24-37-20)6-34-4-3-22/h1-2,5,14,18,25H,3-4,6-7,22-23H2,(H,26,29)(H,31,32)/b13-12-