phenacyl 7-acetamido-3-[(3-ethyl-4-oxidanyl-hexanoyl)oxymethyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylate

Systemtic Name: phenacyl 7-acetamido-3-[(3-ethyl-4-oxidanyl-hexanoyl)oxymethyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylate Openeye Name: phenacyl 7-acetamido-3-[(3-ethyl-4-hydroxy-hexanoyl)oxymethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylate CAS Name: 7-acetamido-3-[(3-ethyl-4-hydroxy-1-oxohexoxy)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid phenacyl ester IUPAC Name: phenacyl 7-acetamido-3-[(3-ethyl-4-hydroxyhexanoyl)oxymethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylate Traditional Name: 7-acetamido-3-[(3-ethyl-4-hydroxy-hexanoyl)oxymethyl]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid phenacyl ester Formula: C26H32N2O8S MolecularWeight: 532.60588

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC(=O)OCC1=CSC2C(C(=O)N2C1C(=O)OCC(=O)C3=CC=CC=C3)NC(=O)C)C(CC)O

Isomeric SMILES

CCC(CC(=O)OCC1=CSC2C(C(=O)N2C1C(=O)OCC(=O)C3=CC=CC=C3)NC(=O)C)C(CC)O

InChI

InChI=1S/C26H32N2O8S/c1-4-16(19(30)5-2)11-21(32)35-12-18-14-37-25-22(27-15(3)29)24(33)28(25)23(18)26(34)36-13-20(31)17-9-7-6-8-10-17/h6-10,14,16,19,22-23,25,30H,4-5,11-13H2,1-3H3,(H,27,29)