prop-2-enyl 3-[[5-(2-hydroxyethyl)-1,3-benzothiazol-2-yl]sulfanylmethyl]-4-methyl-7-oxidanylidene-6-(1-oxidanylidene-1-prop-2-enylperoxy-propan-2-yl)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Systemtic Name: prop-2-enyl 3-[[5-(2-hydroxyethyl)-1,3-benzothiazol-2-yl]sulfanylmethyl]-4-methyl-7-oxidanylidene-6-(1-oxidanylidene-1-prop-2-enylperoxy-propan-2-yl)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: allyl 6-(2-allylperoxy-1-methyl-2-oxo-ethyl)-3-[[5-(2-hydroxyethyl)-1,3-benzothiazol-2-yl]sulfanylmethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate CAS Name: 3-[[[5-(2-hydroxyethyl)-1,3-benzothiazol-2-yl]thio]methyl]-4-methyl-7-oxo-6-(1-oxo-1-prop-2-enyldioxypropan-2-yl)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid prop-2-enyl ester IUPAC Name: prop-2-enyl 3-[[5-(2-hydroxyethyl)-1,3-benzothiazol-2-yl]sulfanylmethyl]-4-methyl-7-oxo-6-(1-oxo-1-prop-2-enylperoxypropan-2-yl)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Traditional Name: 6-(2-allylperoxy-2-keto-1-methyl-ethyl)-3-[[[5-(2-hydroxyethyl)-1,3-benzothiazol-2-yl]thio]methyl]-7-keto-4-methyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid allyl ester Formula: C27H30N2O7S2 MolecularWeight: 558.6663

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C2C(C(=O)N2C(=C1CSC3=NC4=C(S3)C=CC(=C4)CCO)C(=O)OCC=C)C(C)C(=O)OOCC=C

Isomeric SMILES

CC1C2C(C(=O)N2C(=C1CSC3=NC4=C(S3)C=CC(=C4)CCO)C(=O)OCC=C)C(C)C(=O)OOCC=C

InChI

InChI=1S/C27H30N2O7S2/c1-5-11-34-26(33)23-18(14-37-27-28-19-13-17(9-10-30)7-8-20(19)38-27)15(3)22-21(24(31)29(22)23)16(4)25(32)36-35-12-6-2/h5-8,13,15-16,21-22,30H,1-2,9-12,14H2,3-4H3