3-[[1-[2-(2-azanyl-2-azanylidene-ethyl)sulfanylethyl]-1,2,3,4-tetrazol-5-yl]sulfanylmethyl]-7-[[(2E)-2-(2-azanyl-1,3-thiazol-4-yl)-2-ethoxyimino-ethanoyl]amino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 3-[[1-[2-(2-azanyl-2-azanylidene-ethyl)sulfanylethyl]-1,2,3,4-tetrazol-5-yl]sulfanylmethyl]-7-[[(2E)-2-(2-azanyl-1,3-thiazol-4-yl)-2-ethoxyimino-ethanoyl]amino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 3-[[1-[2-(2-amino-2-imino-ethyl)sulfanylethyl]tetrazol-5-yl]sulfanylmethyl]-7-[[(2E)-2-(2-aminothiazol-4-yl)-2-ethoxyimino-acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 3-[[[1-[2-[(2-amino-2-iminoethyl)thio]ethyl]-5-tetrazolyl]thio]methyl]-7-[[(2E)-2-(2-amino-4-thiazolyl)-2-ethoxyimino-1-oxoethyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 3-[[1-[2-(2-amino-2-iminoethyl)sulfanylethyl]tetrazol-5-yl]sulfanylmethyl]-7-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-ethoxyiminoacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 3-[[[1-[2-[(2-amino-2-imino-ethyl)thio]ethyl]tetrazol-5-yl]thio]methyl]-7-[[(2E)-2-(2-aminothiazol-4-yl)-2-ethyloximino-acetyl]amino]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C20H25N11O5S4 MolecularWeight: 627.7432

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Descriptors Computed from Structure

Canonical SMILES:

CCON=C(C1=CSC(=N1)N)C(=O)NC2C3N(C2=O)C(=C(CS3)CSC4=NN=NN4CCSCC(=N)N)C(=O)O

Isomeric SMILES

CCO/N=C(\C1=CSC(=N1)N)/C(=O)NC2C3N(C2=O)C(=C(CS3)CSC4=NN=NN4CCSCC(=N)N)C(=O)O

InChI

InChI=1S/C20H25N11O5S4/c1-2-36-27-12(10-7-39-19(23)24-10)15(32)25-13-16(33)31-14(18(34)35)9(5-38-17(13)31)6-40-20-26-28-29-30(20)3-4-37-8-11(21)22/h7,13,17H,2-6,8H2,1H3,(H3,21,22)(H2,23,24)(H,25,32)(H,34,35)/b27-12+