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

Systemtic Name: 7-[[(2E)-2-(2-azanyl-1,3-thiazol-4-yl)-2-methoxyimino-ethanoyl]amino]-8-oxidanylidene-3-(phenylmethoxymethyl)-4-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-[[(2E)-2-(2-aminothiazol-4-yl)-2-methoxyimino-acetyl]amino]-3-(benzyloxymethyl)-8-oxo-4-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-[[(2E)-2-(2-amino-4-thiazolyl)-2-methoxyimino-1-oxoethyl]amino]-8-oxo-3-(phenylmethoxymethyl)-4-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-8-oxo-3-(phenylmethoxymethyl)-4-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-[[(2E)-2-(2-aminothiazol-4-yl)-2-methyloximino-acetyl]amino]-3-(benzoxymethyl)-8-keto-4-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C21H21N5O6S2 MolecularWeight: 503.55134

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CON=C(C1=CSC(=N1)N)C(=O)NC2C3CSC(=C(N3C2=O)C(=O)O)COCC4=CC=CC=C4

Isomeric SMILES

CO/N=C(\C1=CSC(=N1)N)/C(=O)NC2C3CSC(=C(N3C2=O)C(=O)O)COCC4=CC=CC=C4

InChI

InChI=1S/C21H21N5O6S2/c1-31-25-15(12-9-34-21(22)23-12)18(27)24-16-13-10-33-14(17(20(29)30)26(13)19(16)28)8-32-7-11-5-3-2-4-6-11/h2-6,9,13,16H,7-8,10H2,1H3,(H2,22,23)(H,24,27)(H,29,30)/b25-15+