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

Systemtic Name: 1-ethoxycarbonyloxyethyl 6-(1-hydroxyethyl)-7-oxidanylidene-3-(1-oxidanylidenethiolan-3-yl)sulfanyl-4-thia-1-azabicyclo[3.2.0]hept-2-ene-6-carboxylate Openeye Name: 1-ethoxycarbonyloxyethyl 6-(1-hydroxyethyl)-7-oxo-3-(1-oxothiolan-3-yl)sulfanyl-4-thia-1-azabicyclo[3.2.0]hept-2-ene-6-carboxylate CAS Name: 6-(1-hydroxyethyl)-7-oxo-3-[(1-oxo-3-thiolanyl)thio]-4-thia-1-azabicyclo[3.2.0]hept-2-ene-6-carboxylic acid 1-ethoxycarbonyloxyethyl ester IUPAC Name: 1-ethoxycarbonyloxyethyl 6-(1-hydroxyethyl)-7-oxo-3-(1-oxothiolan-3-yl)sulfanyl-4-thia-1-azabicyclo[3.2.0]hept-2-ene-6-carboxylate Traditional Name: 6-(1-hydroxyethyl)-7-keto-3-[(1-ketothiolan-3-yl)thio]-4-thia-1-azabicyclo[3.2.0]hept-2-ene-6-carboxylic acid 1-carbethoxyoxyethyl ester Formula: C17H23NO8S3 MolecularWeight: 465.56142

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)OC(C)OC(=O)C1(C2N(C1=O)C=C(S2)SC3CCS(=O)C3)C(C)O

Isomeric SMILES

CCOC(=O)OC(C)OC(=O)C1(C2N(C1=O)C=C(S2)SC3CCS(=O)C3)C(C)O

InChI

InChI=1S/C17H23NO8S3/c1-4-24-16(22)26-10(3)25-15(21)17(9(2)19)13(20)18-7-12(28-14(17)18)27-11-5-6-29(23)8-11/h7,9-11,14,19H,4-6,8H2,1-3H3