tert-butyl 7-[[(E)-2-ethylsulfinylprop-1-enyl]amino]-3-methyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: tert-butyl 7-[[(E)-2-ethylsulfinylprop-1-enyl]amino]-3-methyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: tert-butyl 7-[[(E)-2-ethylsulfinylprop-1-enyl]amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 7-[[(E)-2-ethylsulfinylprop-1-enyl]amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 7-[[(E)-2-ethylsulfinylprop-1-enyl]amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 7-[[(E)-2-ethylsulfinylprop-1-enyl]amino]-8-keto-3-methyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid tert-butyl ester Formula: C17H26N2O4S2 MolecularWeight: 386.52934

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)C(=CNC1C2N(C1=O)C(=C(CS2)C)C(=O)OC(C)(C)C)C

Isomeric SMILES

CCS(=O)/C(=C/NC1C2N(C1=O)C(=C(CS2)C)C(=O)OC(C)(C)C)/C

InChI

InChI=1S/C17H26N2O4S2/c1-7-25(22)11(3)8-18-12-14(20)19-13(10(2)9-24-15(12)19)16(21)23-17(4,5)6/h8,12,15,18H,7,9H2,1-6H3/b11-8+