(2-azanyl-2-oxidanylidene-ethyl)-[(E)-3-[7-[2-[2,5-bis(chloranyl)-4-[(E)-3-[(2-methylpropan-2-yl)oxy]-3-oxidanylidene-prop-1-enyl]phenyl]sulfanylethanoylamino]-2-carboxy-8-oxidanylidene-8$l^{4}-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]prop-2-enyl]-dimethyl-azanium

Systemtic Name: (2-azanyl-2-oxidanylidene-ethyl)-[(E)-3-[7-[2-[2,5-bis(chloranyl)-4-[(E)-3-[(2-methylpropan-2-yl)oxy]-3-oxidanylidene-prop-1-enyl]phenyl]sulfanylethanoylamino]-2-carboxy-8-oxidanylidene-8$l^{4}-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]prop-2-enyl]-dimethyl-azanium Openeye Name: (2-amino-2-oxo-ethyl)-[(E)-3-[7-[[2-[4-[(E)-3-tert-butoxy-3-oxo-prop-1-enyl]-2,5-dichloro-phenyl]sulfanylacetyl]amino]-2-carboxy-8-oxo-8$l^{4}-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]allyl]-dimethyl-ammonium CAS Name: (2-amino-2-oxoethyl)-[(E)-3-[2-carboxy-7-[[2-[[2,5-dichloro-4-[(E)-3-[(2-methylpropan-2-yl)oxy]-3-oxoprop-1-enyl]phenyl]thio]-1-oxoethyl]amino]-8-oxo-8$l^{4}-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]prop-2-enyl]-dimethylammonium IUPAC Name: (2-amino-2-oxoethyl)-[(E)-3-[2-carboxy-7-[[2-[2,5-dichloro-4-[(E)-3-[(2-methylpropan-2-yl)oxy]-3-oxoprop-1-enyl]phenyl]sulfanylacetyl]amino]-8-oxo-8$l^{4}-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]prop-2-enyl]-dimethylazanium Traditional Name: (2-amino-2-keto-ethyl)-[(E)-3-[7-[[2-[[4-[(E)-3-tert-butoxy-3-keto-prop-1-enyl]-2,5-dichloro-phenyl]thio]acetyl]amino]-2-carboxy-8-keto-8$l^{4}-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]allyl]-dimethyl-ammonium Formula: C29H37Cl2N4O7S2+ MolecularWeight: 688.66268

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C=CC1=CC(=C(C=C1Cl)SCC(=O)NC2C3CCC(=C(N3S2=O)C(=O)O)C=CC[N+](C)(C)CC(=O)N)Cl

Isomeric SMILES

CC(C)(C)OC(=O)/C=C/C1=CC(=C(C=C1Cl)SCC(=O)NC2C3CCC(=C(N3S2=O)C(=O)O)/C=C/C[N+](C)(C)CC(=O)N)Cl

InChI

InChI=1S/C29H36Cl2N4O7S2/c1-29(2,3)42-25(38)11-9-18-13-20(31)22(14-19(18)30)43-16-24(37)33-27-21-10-8-17(26(28(39)40)34(21)44(27)41)7-6-12-35(4,5)15-23(32)36/h6-7,9,11,13-14,21,27H,8,10,12,15-16H2,1-5H3,(H3-,32,33,36,37,39,40)/p+1/b7-6+,11-9+