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

Systemtic Name: 3-[[2-azanyl-4-(2-azanylethylsulfanylmethyl)-1,3-thiazol-5-yl]sulfanyl]-7-[[(2E)-2-(2-azanyl-5-chloranyl-1,3-thiazol-4-yl)-2-hydroxyimino-ethanoyl]amino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: 3-[2-amino-4-(2-aminoethylsulfanylmethyl)thiazol-5-yl]sulfanyl-7-[[(2E)-2-(2-amino-5-chloro-thiazol-4-yl)-2-hydroxyimino-acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 3-[[2-amino-4-[(2-aminoethylthio)methyl]-5-thiazolyl]thio]-7-[[(2E)-2-(2-amino-5-chloro-4-thiazolyl)-2-hydroxyimino-1-oxoethyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate IUPAC Name: 3-[[2-amino-4-(2-aminoethylsulfanylmethyl)-1,3-thiazol-5-yl]sulfanyl]-7-[[(2E)-2-(2-amino-5-chloro-1,3-thiazol-4-yl)-2-hydroxyiminoacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 3-[[2-amino-4-[(2-aminoethylthio)methyl]thiazol-5-yl]thio]-7-[[(2E)-2-(2-amino-5-chloro-thiazol-4-yl)-2-hydroximino-acetyl]amino]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Formula: C18H18ClN8O5S5- MolecularWeight: 622.16412

Click to see the large picture

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(N=C(S4)N)CSCCN

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(N=C(S4)N)CSCCN

InChI

InChI=1S/C18H19ClN8O5S5/c19-11-7(25-18(22)36-11)8(26-32)12(28)24-9-13(29)27-10(15(30)31)6(4-34-14(9)27)35-16-5(3-33-2-1-20)23-17(21)37-16/h9,14,32H,1-4,20H2,(H2,21,23)(H2,22,25)(H,24,28)(H,30,31)/p-1/b26-8+