1-[(2-methylpropan-2-yl)oxycarbonyloxy]ethyl 7-[[2-(2-azanyl-1,3-thiazol-4-yl)-2-methoxyimino-ethanoyl]amino]-3-(methoxymethyl)-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: 1-[(2-methylpropan-2-yl)oxycarbonyloxy]ethyl 7-[[2-(2-azanyl-1,3-thiazol-4-yl)-2-methoxyimino-ethanoyl]amino]-3-(methoxymethyl)-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: 1-tert-butoxycarbonyloxyethyl 7-[[2-(2-aminothiazol-4-yl)-2-methoxyimino-acetyl]amino]-3-(methoxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 7-[[2-(2-amino-4-thiazolyl)-2-methoxyimino-1-oxoethyl]amino]-3-(methoxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid 1-[(2-methylpropan-2-yl)oxy-oxomethoxy]ethyl ester IUPAC Name: 1-[(2-methylpropan-2-yl)oxycarbonyloxy]ethyl 7-[[2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-(methoxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 7-[[2-(2-aminothiazol-4-yl)-2-methyloximino-acetyl]amino]-8-keto-3-(methoxymethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid 1-tert-butoxycarbonyloxyethyl ester Formula: C22H29N5O9S2 MolecularWeight: 571.62376

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Descriptors Computed from Structure

Canonical SMILES:

CC(OC(=O)C1=C(CSC2N1C(=O)C2NC(=O)C(=NOC)C3=CSC(=N3)N)COC)OC(=O)OC(C)(C)C

Isomeric SMILES

CC(OC(=O)C1=C(CSC2N1C(=O)C2NC(=O)C(=NOC)C3=CSC(=N3)N)COC)OC(=O)OC(C)(C)C

InChI

InChI=1S/C22H29N5O9S2/c1-10(35-21(31)36-22(2,3)4)34-19(30)15-11(7-32-5)8-37-18-14(17(29)27(15)18)25-16(28)13(26-33-6)12-9-38-20(23)24-12/h9-10,14,18H,7-8H2,1-6H3,(H2,23,24)(H,25,28)