4-aminocarbonyl-7-ethenylsulfanyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate; 4-methylbenzenesulfonic acid

Systemtic Name: 4-aminocarbonyl-7-ethenylsulfanyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate; 4-methylbenzenesulfonic acid Openeye Name: 4-carbamoyl-8-oxo-7-vinylsulfanyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate; 4-methylbenzenesulfonic acid CAS Name: 4-carbamoyl-7-(ethenylthio)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate; 4-methylbenzenesulfonic acid IUPAC Name: 4-carbamoyl-7-ethenylsulfanyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate; 4-methylbenzenesulfonic acid Traditional Name: 4-carbamoyl-8-keto-7-(vinylthio)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate; tosylic acid Formula: C17H17N2O7S3- MolecularWeight: 457.52108

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.C=CSC1C2N(C1=O)C(=CC(S2)C(=O)N)C(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.C=CSC1C2N(C1=O)C(=CC(S2)C(=O)N)C(=O)[O-]

InChI

InChI=1S/C10H10N2O4S2.C7H8O3S/c1-2-17-6-8(14)12-4(10(15)16)3-5(7(11)13)18-9(6)12;1-6-2-4-7(5-3-6)11(8,9)10/h2-3,5-6,9H,1H2,(H2,11,13)(H,15,16);2-5H,1H3,(H,8,9,10)/p-1