2,2-dimethylpropanoyloxymethyl 7-azanyl-8-oxidanylidene-3-(1,3-thiazol-2-ylcarbonylsulfanylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: 2,2-dimethylpropanoyloxymethyl 7-azanyl-8-oxidanylidene-3-(1,3-thiazol-2-ylcarbonylsulfanylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: 2,2-dimethylpropanoyloxymethyl 7-amino-8-oxo-3-(thiazole-2-carbonylsulfanylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 7-amino-8-oxo-3-[[[oxo(2-thiazolyl)methyl]thio]methyl]-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-amino-8-oxo-3-(1,3-thiazole-2-carbonylsulfanylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 7-amino-8-keto-3-[(thiazole-2-carbonylthio)methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid pivaloyloxymethyl ester Formula: C18H21N3O6S3 MolecularWeight: 471.57084

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OCOC(=O)C1=C(CSC2N1C(=O)C2N)CSC(=O)C3=NC=CS3

Isomeric SMILES

CC(C)(C)C(=O)OCOC(=O)C1=C(CSC2N1C(=O)C2N)CSC(=O)C3=NC=CS3

InChI

InChI=1S/C18H21N3O6S3/c1-18(2,3)17(25)27-8-26-15(23)11-9(6-29-14-10(19)13(22)21(11)14)7-30-16(24)12-20-4-5-28-12/h4-5,10,14H,6-8,19H2,1-3H3