2-ethylbutanoyloxymethyl 6-(1-hydroxyethyl)-7-oxidanylidene-3-(1-oxidanylidenethiolan-3-yl)sulfanyl-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Systemtic Name: 2-ethylbutanoyloxymethyl 6-(1-hydroxyethyl)-7-oxidanylidene-3-(1-oxidanylidenethiolan-3-yl)sulfanyl-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: 2-ethylbutanoyloxymethyl 6-(1-hydroxyethyl)-7-oxo-3-(1-oxothiolan-3-yl)sulfanyl-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate CAS Name: 6-(1-hydroxyethyl)-7-oxo-3-[(1-oxo-3-thiolanyl)thio]-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid (2-ethyl-1-oxobutoxy)methyl ester IUPAC Name: 2-ethylbutanoyloxymethyl 6-(1-hydroxyethyl)-7-oxo-3-(1-oxothiolan-3-yl)sulfanyl-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Traditional Name: 6-(1-hydroxyethyl)-7-keto-3-[(1-ketothiolan-3-yl)thio]-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid 2-ethylbutanoyloxymethyl ester Formula: C19H27NO7S3 MolecularWeight: 477.61518

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(=O)OCOC(=O)C1=C(SC2N1C(=O)C2C(C)O)SC3CCS(=O)C3

Isomeric SMILES

CCC(CC)C(=O)OCOC(=O)C1=C(SC2N1C(=O)C2C(C)O)SC3CCS(=O)C3

InChI

InChI=1S/C19H27NO7S3/c1-4-11(5-2)17(23)26-9-27-18(24)14-19(28-12-6-7-30(25)8-12)29-16-13(10(3)21)15(22)20(14)16/h10-13,16,21H,4-9H2,1-3H3