7-azanyl-7-[2-methyl-4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylsulfanylmethyl]-5-sulfanyl-2H-1,3-thiazol-3-yl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 7-azanyl-7-[2-methyl-4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylsulfanylmethyl]-5-sulfanyl-2H-1,3-thiazol-3-yl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-amino-7-[4-[2-(tert-butoxycarbonylamino)ethylsulfanylmethyl]-2-methyl-5-sulfanyl-2H-thiazol-3-yl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-amino-7-[5-mercapto-2-methyl-4-[[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]ethylthio]methyl]-2H-thiazol-3-yl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-amino-7-[2-methyl-4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylsulfanylmethyl]-5-sulfanyl-2H-1,3-thiazol-3-yl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-amino-7-[4-[[2-(tert-butoxycarbonylamino)ethylthio]methyl]-5-mercapto-2-methyl-4-thiazolin-3-yl]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C19H28N4O5S4 MolecularWeight: 520.70942

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Descriptors Computed from Structure

Canonical SMILES:

CC1N(C(=C(S1)S)CSCCNC(=O)OC(C)(C)C)C2(C3N(C2=O)C(=CCS3)C(=O)O)N

Isomeric SMILES

CC1N(C(=C(S1)S)CSCCNC(=O)OC(C)(C)C)C2(C3N(C2=O)C(=CCS3)C(=O)O)N

InChI

InChI=1S/C19H28N4O5S4/c1-10-23(19(20)15(26)22-11(13(24)25)5-7-31-16(19)22)12(14(29)32-10)9-30-8-6-21-17(27)28-18(2,3)4/h5,10,16,29H,6-9,20H2,1-4H3,(H,21,27)(H,24,25)