[(2R,3S)-3-azanyl-1-(1-methoxy-3-methyl-1-oxidanylidene-but-2-en-2-yl)-4-oxidanylidene-azetidin-2-yl] hexanoate; 4-methylbenzenesulfonic acid

Systemtic Name: [(2R,3S)-3-azanyl-1-(1-methoxy-3-methyl-1-oxidanylidene-but-2-en-2-yl)-4-oxidanylidene-azetidin-2-yl] hexanoate; 4-methylbenzenesulfonic acid Openeye Name: [(2R,3S)-3-amino-1-(1-methoxycarbonyl-2-methyl-prop-1-enyl)-4-oxo-azetidin-2-yl] hexanoate; 4-methylbenzenesulfonic acid CAS Name: hexanoic acid [(2R,3S)-3-amino-1-(1-methoxy-3-methyl-1-oxobut-2-en-2-yl)-4-oxo-2-azetidinyl] ester; 4-methylbenzenesulfonic acid IUPAC Name: [(2R,3S)-3-amino-1-(1-methoxy-3-methyl-1-oxobut-2-en-2-yl)-4-oxoazetidin-2-yl] hexanoate; 4-methylbenzenesulfonic acid Traditional Name: hexanoic acid [(2R,3S)-3-amino-1-(1-carbomethoxy-2-methyl-prop-1-enyl)-4-keto-azetidin-2-yl] ester; tosylic acid Formula: C22H32N2O8S MolecularWeight: 484.56308

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)OC1C(C(=O)N1C(=C(C)C)C(=O)OC)N.CC1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

CCCCCC(=O)O[C@@H]1[C@@H](C(=O)N1C(=C(C)C)C(=O)OC)N.CC1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C15H24N2O5.C7H8O3S/c1-5-6-7-8-10(18)22-14-11(16)13(19)17(14)12(9(2)3)15(20)21-4;1-6-2-4-7(5-3-6)11(8,9)10/h11,14H,5-8,16H2,1-4H3;2-5H,1H3,(H,8,9,10)/t11-,14-;/m1./s1