2,2-dimethylpropanoyloxymethyl 7-[(4-hydroxyphenyl)carbonylamino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: 2,2-dimethylpropanoyloxymethyl 7-[(4-hydroxyphenyl)carbonylamino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: 2,2-dimethylpropanoyloxymethyl 7-[(4-hydroxybenzoyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 7-[[(4-hydroxyphenyl)-oxomethyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (2,2-dimethyl-1-oxopropoxy)methyl ester IUPAC Name: 2,2-dimethylpropanoyloxymethyl 7-[(4-hydroxybenzoyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 7-[(4-hydroxybenzoyl)amino]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid pivaloyloxymethyl ester Formula: C20H22N2O7S MolecularWeight: 434.46288

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OCOC(=O)C1=CCSC2N1C(=O)C2NC(=O)C3=CC=C(C=C3)O

Isomeric SMILES

CC(C)(C)C(=O)OCOC(=O)C1=CCSC2N1C(=O)C2NC(=O)C3=CC=C(C=C3)O

InChI

InChI=1S/C20H22N2O7S/c1-20(2,3)19(27)29-10-28-18(26)13-8-9-30-17-14(16(25)22(13)17)21-15(24)11-4-6-12(23)7-5-11/h4-8,14,17,23H,9-10H2,1-3H3,(H,21,24)