2,2-dimethylpropanoyloxymethyl 7-[[(Z)-4-cyclopropyl-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]but-2-enoyl]amino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: 2,2-dimethylpropanoyloxymethyl 7-[[(Z)-4-cyclopropyl-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]but-2-enoyl]amino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: 2,2-dimethylpropanoyloxymethyl 7-[[(Z)-2-[2-(tert-butoxycarbonylamino)thiazol-4-yl]-4-cyclopropyl-but-2-enoyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 7-[[(Z)-4-cyclopropyl-2-[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-thiazolyl]-1-oxobut-2-enyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (2,2-dimethyl-1-oxopropoxy)methyl ester IUPAC Name: 2,2-dimethylpropanoyloxymethyl 7-[[(Z)-4-cyclopropyl-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]but-2-enoyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 7-[[(Z)-2-[2-(tert-butoxycarbonylamino)thiazol-4-yl]-4-cyclopropyl-but-2-enoyl]amino]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid pivaloyloxymethyl ester Formula: C28H36N4O8S2 MolecularWeight: 620.73744

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OCOC(=O)C1=CCSC2N1C(=O)C2NC(=O)C(=CCC3CC3)C4=CSC(=N4)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)C(=O)OCOC(=O)C1=CCSC2N1C(=O)C2NC(=O)/C(=C\CC3CC3)/C4=CSC(=N4)NC(=O)OC(C)(C)C

InChI

InChI=1S/C28H36N4O8S2/c1-27(2,3)24(36)39-14-38-23(35)18-11-12-41-22-19(21(34)32(18)22)30-20(33)16(10-9-15-7-8-15)17-13-42-25(29-17)31-26(37)40-28(4,5)6/h10-11,13,15,19,22H,7-9,12,14H2,1-6H3,(H,30,33)(H,29,31,37)/b16-10-