cyanomethyl 6-azanyl-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate; 4-methylbenzenesulfonic acid

Systemtic Name: cyanomethyl 6-azanyl-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate; 4-methylbenzenesulfonic acid Openeye Name: cyanomethyl 6-amino-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate; 4-methylbenzenesulfonic acid CAS Name: 6-amino-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid cyanomethyl ester; 4-methylbenzenesulfonic acid IUPAC Name: cyanomethyl 6-amino-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate; 4-methylbenzenesulfonic acid Traditional Name: 6-amino-7-keto-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid cyanomethyl ester; tosylic acid Formula: C17H21N3O6S2 MolecularWeight: 427.49514

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.CC1(C(N2C(S1)C(C2=O)N)C(=O)OCC#N)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.CC1(C(N2C(S1)C(C2=O)N)C(=O)OCC#N)C

InChI

InChI=1S/C10H13N3O3S.C7H8O3S/c1-10(2)6(9(15)16-4-3-11)13-7(14)5(12)8(13)17-10;1-6-2-4-7(5-3-6)11(8,9)10/h5-6,8H,4,12H2,1-2H3;2-5H,1H3,(H,8,9,10)