7-[[(2Z)-2-(2-azanyl-1,3-thiazol-4-yl)-2-(4-oxidanyl-4-oxidanylidene-butoxy)imino-ethanoyl]amino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 7-[[(2Z)-2-(2-azanyl-1,3-thiazol-4-yl)-2-(4-oxidanyl-4-oxidanylidene-butoxy)imino-ethanoyl]amino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-[[(2Z)-2-(2-aminothiazol-4-yl)-2-(4-hydroxy-4-oxo-butoxy)imino-acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-[[(2Z)-2-(2-amino-4-thiazolyl)-2-(4-hydroxy-4-oxobutoxy)imino-1-oxoethyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(4-hydroxy-4-oxobutoxy)iminoacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-[[(2Z)-2-(2-aminothiazol-4-yl)-2-(4-hydroxy-4-keto-butyl)oximino-acetyl]amino]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C16H17N5O7S2 MolecularWeight: 455.46548

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Descriptors Computed from Structure

Canonical SMILES:

C1C=C(N2C(S1)C(C2=O)NC(=O)C(=NOCCCC(=O)O)C3=CSC(=N3)N)C(=O)O

Isomeric SMILES

C1C=C(N2C(S1)C(C2=O)NC(=O)/C(=N\OCCCC(=O)O)/C3=CSC(=N3)N)C(=O)O

InChI

InChI=1S/C16H17N5O7S2/c17-16-18-7(6-30-16)10(20-28-4-1-2-9(22)23)12(24)19-11-13(25)21-8(15(26)27)3-5-29-14(11)21/h3,6,11,14H,1-2,4-5H2,(H2,17,18)(H,19,24)(H,22,23)(H,26,27)/b20-10-