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

Systemtic Name: 3-[[1-(3-azanyl-3-azanylidene-propyl)-1,2,3,4-tetrazol-5-yl]sulfanylmethyl]-7-[[(2E)-2-(2-azanyl-1,3-thiazol-4-yl)-2-methoxyimino-ethanoyl]amino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 3-[[1-(3-amino-3-imino-propyl)tetrazol-5-yl]sulfanylmethyl]-7-[[(2E)-2-(2-aminothiazol-4-yl)-2-methoxyimino-acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 3-[[[1-(3-amino-3-iminopropyl)-5-tetrazolyl]thio]methyl]-7-[[(2E)-2-(2-amino-4-thiazolyl)-2-methoxyimino-1-oxoethyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 3-[[1-(3-amino-3-iminopropyl)tetrazol-5-yl]sulfanylmethyl]-7-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 3-[[[1-(3-amino-3-imino-propyl)tetrazol-5-yl]thio]methyl]-7-[[(2E)-2-(2-aminothiazol-4-yl)-2-methyloximino-acetyl]amino]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C18H21N11O5S3 MolecularWeight: 567.62504

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Descriptors Computed from Structure

Canonical SMILES:

CON=C(C1=CSC(=N1)N)C(=O)NC2C3N(C2=O)C(=C(CS3)CSC4=NN=NN4CCC(=N)N)C(=O)O

Isomeric SMILES

CO/N=C(\C1=CSC(=N1)N)/C(=O)NC2C3N(C2=O)C(=C(CS3)CSC4=NN=NN4CCC(=N)N)C(=O)O

InChI

InChI=1S/C18H21N11O5S3/c1-34-25-10(8-6-36-17(21)22-8)13(30)23-11-14(31)29-12(16(32)33)7(4-35-15(11)29)5-37-18-24-26-27-28(18)3-2-9(19)20/h6,11,15H,2-5H2,1H3,(H3,19,20)(H2,21,22)(H,23,30)(H,32,33)/b25-10+