tert-butyl 3-aminocarbonyl-7-(2-chloranylethanoylamino)-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: tert-butyl 3-aminocarbonyl-7-(2-chloranylethanoylamino)-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: tert-butyl 3-carbamoyl-7-[(2-chloroacetyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 3-carbamoyl-7-[(2-chloro-1-oxoethyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-carbamoyl-7-[(2-chloroacetyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 3-carbamoyl-7-[(2-chloroacetyl)amino]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid tert-butyl ester Formula: C14H18ClN3O5S MolecularWeight: 375.82782

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=C(CSC2N1C(=O)C2NC(=O)CCl)C(=O)N

Isomeric SMILES

CC(C)(C)OC(=O)C1=C(CSC2N1C(=O)C2NC(=O)CCl)C(=O)N

InChI

InChI=1S/C14H18ClN3O5S/c1-14(2,3)23-13(22)9-6(10(16)20)5-24-12-8(11(21)18(9)12)17-7(19)4-15/h8,12H,4-5H2,1-3H3,(H2,16,20)(H,17,19)