aluminum (2R,5S,6S)-6-[[3-[2,6-bis(chloranyl)phenyl]-5-methyl-1,2-oxazol-4-yl]carbonylamino]-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

Systemtic Name: aluminum (2R,5S,6S)-6-[[3-[2,6-bis(chloranyl)phenyl]-5-methyl-1,2-oxazol-4-yl]carbonylamino]-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Openeye Name: aluminum (2R,5S,6S)-6-[[3-(2,6-dichlorophenyl)-5-methyl-isoxazole-4-carbonyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate CAS Name: aluminum (2R,5S,6S)-6-[[[3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolyl]-oxomethyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate IUPAC Name: aluminum (2R,5S,6S)-6-[[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Traditional Name: aluminum (2R,5S,6S)-6-[[3-(2,6-dichlorophenyl)-5-methyl-isoxazole-4-carbonyl]amino]-7-keto-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Formula: C19H16AlCl2N3O5S+2 MolecularWeight: 496.299978

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C2=C(C=CC=C2Cl)Cl)C(=O)NC3C4N(C3=O)C(C(S4)(C)C)C(=O)[O-].[Al+3]

Isomeric SMILES

CC1=C(C(=NO1)C2=C(C=CC=C2Cl)Cl)C(=O)N[C@@H]3[C@H]4N(C3=O)[C@@H](C(S4)(C)C)C(=O)[O-].[Al+3]

InChI

InChI=1S/C19H17Cl2N3O5S.Al/c1-7-10(12(23-29-7)11-8(20)5-4-6-9(11)21)15(25)22-13-16(26)24-14(18(27)28)19(2,3)30-17(13)24;/h4-6,13-14,17H,1-3H3,(H,22,25)(H,27,28);/q;+3/p-1/t13-,14+,17-;/m0./s1