tert-butyl 7-[[2-azanyl-2-(3-hydroxyphenyl)ethanoyl]amino]-3-methylidene-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylate

Systemtic Name: tert-butyl 7-[[2-azanyl-2-(3-hydroxyphenyl)ethanoyl]amino]-3-methylidene-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylate Openeye Name: tert-butyl 7-[[2-amino-2-(3-hydroxyphenyl)acetyl]amino]-3-methylene-8-oxo-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylate CAS Name: 7-[[2-amino-2-(3-hydroxyphenyl)-1-oxoethyl]amino]-3-methylene-8-oxo-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 7-[[2-amino-2-(3-hydroxyphenyl)acetyl]amino]-3-methylidene-8-oxo-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylate Traditional Name: 7-[[2-amino-2-(3-hydroxyphenyl)acetyl]amino]-8-keto-3-methylene-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid tert-butyl ester Formula: C20H25N3O5S MolecularWeight: 419.4946

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1C(=C)CSC2N1C(=O)C2NC(=O)C(C3=CC(=CC=C3)O)N

Isomeric SMILES

CC(C)(C)OC(=O)C1C(=C)CSC2N1C(=O)C2NC(=O)C(C3=CC(=CC=C3)O)N

InChI

InChI=1S/C20H25N3O5S/c1-10-9-29-18-14(17(26)23(18)15(10)19(27)28-20(2,3)4)22-16(25)13(21)11-6-5-7-12(24)8-11/h5-8,13-15,18,24H,1,9,21H2,2-4H3,(H,22,25)