(4-methoxyphenyl)methyl 3-(chloromethyl)-7-[[(2Z)-2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,2,4-thiadiazol-3-yl]-2-propan-2-yloxyimino-ethanoyl]amino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: (4-methoxyphenyl)methyl 3-(chloromethyl)-7-[[(2Z)-2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,2,4-thiadiazol-3-yl]-2-propan-2-yloxyimino-ethanoyl]amino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: (4-methoxyphenyl)methyl 7-[[(2Z)-2-[5-(tert-butoxycarbonylamino)-1,2,4-thiadiazol-3-yl]-2-isopropoxyimino-acetyl]amino]-3-(chloromethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 3-(chloromethyl)-7-[[(2Z)-2-[5-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1,2,4-thiadiazol-3-yl]-1-oxo-2-propan-2-yloxyiminoethyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (4-methoxyphenyl)methyl ester IUPAC Name: (4-methoxyphenyl)methyl 3-(chloromethyl)-7-[[(2Z)-2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,2,4-thiadiazol-3-yl]-2-propan-2-yloxyiminoacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 7-[[(2Z)-2-[5-(tert-butoxycarbonylamino)-1,2,4-thiadiazol-3-yl]-2-isopropyloximino-acetyl]amino]-3-(chloromethyl)-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid p-anisyl ester Formula: C28H33ClN6O8S2 MolecularWeight: 681.18002

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)ON=C(C1=NSC(=N1)NC(=O)OC(C)(C)C)C(=O)NC2C3N(C2=O)C(=C(CS3)CCl)C(=O)OCC4=CC=C(C=C4)OC

Isomeric SMILES

CC(C)O/N=C(/C1=NSC(=N1)NC(=O)OC(C)(C)C)\C(=O)NC2C3N(C2=O)C(=C(CS3)CCl)C(=O)OCC4=CC=C(C=C4)OC

InChI

InChI=1S/C28H33ClN6O8S2/c1-14(2)43-33-18(21-31-26(45-34-21)32-27(39)42-28(3,4)5)22(36)30-19-23(37)35-20(16(11-29)13-44-24(19)35)25(38)41-12-15-7-9-17(40-6)10-8-15/h7-10,14,19,24H,11-13H2,1-6H3,(H,30,36)(H,31,32,34,39)/b33-18-