7-[[(2E)-2-(2-azanyl-5-chloranyl-1,3-thiazol-4-yl)-2-hydroxyimino-ethanoyl]amino]-3-[2-[2-[bis(azanyl)methylideneamino]ethylsulfanylmethyl]pyridin-3-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-[2-[2-[bis(azanyl)methylideneamino]ethylsulfanylmethyl]pyridin-3-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-[[2-(2-guanidinoethylsulfanylmethyl)-3-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-[[2-[[2-(diaminomethylideneamino)ethylthio]methyl]-3-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-[2-[2-(diaminomethylideneamino)ethylsulfanylmethyl]pyridin-3-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-[[2-[(2-guanidinoethylthio)methyl]-3-pyridyl]thio]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C21H22ClN9O5S4 MolecularWeight: 644.16968

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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(N=CC=C4)CSCCN=C(N)N

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=CC=C4)CSCCN=C(N)N

InChI

InChI=1S/C21H22ClN9O5S4/c22-15-11(29-21(25)40-15)12(30-36)16(32)28-13-17(33)31-14(19(34)35)10(7-38-18(13)31)39-9-2-1-3-26-8(9)6-37-5-4-27-20(23)24/h1-3,13,18,36H,4-7H2,(H2,25,29)(H,28,32)(H,34,35)(H4,23,24,27)/b30-12+