[5-(naphthalen-1-ylmethyl)-1-prop-2-enoxycarbonyl-pyrrolidin-3-yl]sulfanyl 4-methyl-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Systemtic Name: [5-(naphthalen-1-ylmethyl)-1-prop-2-enoxycarbonyl-pyrrolidin-3-yl]sulfanyl 4-methyl-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: [1-allyloxycarbonyl-5-(1-naphthylmethyl)pyrrolidin-3-yl]sulfanyl 4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate CAS Name: 4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid [[5-(1-naphthalenylmethyl)-1-[oxo(prop-2-enoxy)methyl]-3-pyrrolidinyl]thio] ester IUPAC Name: [5-(naphthalen-1-ylmethyl)-1-prop-2-enoxycarbonylpyrrolidin-3-yl]sulfanyl 4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Traditional Name: 7-keto-4-methyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid [[1-allyloxycarbonyl-5-(1-naphthylmethyl)pyrrolidin-3-yl]thio] ester Formula: C27H28N2O5S MolecularWeight: 492.58662

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Descriptors Computed from Structure

Canonical SMILES:

CC1C=C(N2C1CC2=O)C(=O)OSC3CC(N(C3)C(=O)OCC=C)CC4=CC=CC5=CC=CC=C54

Isomeric SMILES

CC1C=C(N2C1CC2=O)C(=O)OSC3CC(N(C3)C(=O)OCC=C)CC4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C27H28N2O5S/c1-3-11-33-27(32)28-16-21(35-34-26(31)24-12-17(2)23-15-25(30)29(23)24)14-20(28)13-19-9-6-8-18-7-4-5-10-22(18)19/h3-10,12,17,20-21,23H,1,11,13-16H2,2H3