tert-butyl 3-[azanyl(ethanoyl)carbamoyl]-7-benzamido-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: tert-butyl 3-[azanyl(ethanoyl)carbamoyl]-7-benzamido-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: tert-butyl 3-[acetyl(amino)carbamoyl]-7-benzamido-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 3-[[acetyl(amino)amino]-oxomethyl]-7-benzamido-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[acetyl(amino)carbamoyl]-7-benzamido-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 3-[acetyl(amino)carbamoyl]-7-benzamido-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid tert-butyl ester Formula: C21H24N4O6S MolecularWeight: 460.50346

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(C(=O)C1=C(N2C(C(C2=O)NC(=O)C3=CC=CC=C3)SC1)C(=O)OC(C)(C)C)N

Isomeric SMILES

CC(=O)N(C(=O)C1=C(N2C(C(C2=O)NC(=O)C3=CC=CC=C3)SC1)C(=O)OC(C)(C)C)N

InChI

InChI=1S/C21H24N4O6S/c1-11(26)25(22)17(28)13-10-32-19-14(23-16(27)12-8-6-5-7-9-12)18(29)24(19)15(13)20(30)31-21(2,3)4/h5-9,14,19H,10,22H2,1-4H3,(H,23,27)