(7-methyl-2-propan-2-yl-octanoyl) 3,3-dimethyl-6-(naphthalen-1-ylcarbonylamino)-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

Systemtic Name: (7-methyl-2-propan-2-yl-octanoyl) 3,3-dimethyl-6-(naphthalen-1-ylcarbonylamino)-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Openeye Name: (2-isopropyl-7-methyl-octanoyl) 3,3-dimethyl-6-(naphthalene-1-carbonylamino)-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate CAS Name: 3,3-dimethyl-6-[[1-naphthalenyl(oxo)methyl]amino]-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid (7-methyl-1-oxo-2-propan-2-yloctyl) ester IUPAC Name: (7-methyl-2-propan-2-yloctanoyl) 3,3-dimethyl-6-(naphthalene-1-carbonylamino)-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Traditional Name: 7-keto-3,3-dimethyl-6-(1-naphthoylamino)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid (2-isopropyl-7-methyl-octanoyl) ester Formula: C31H40N2O5S MolecularWeight: 552.7247

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCC(C(C)C)C(=O)OC(=O)C1C(SC2N1C(=O)C2NC(=O)C3=CC=CC4=CC=CC=C43)(C)C

Isomeric SMILES

CC(C)CCCCC(C(C)C)C(=O)OC(=O)C1C(SC2N1C(=O)C2NC(=O)C3=CC=CC4=CC=CC=C43)(C)C

InChI

InChI=1S/C31H40N2O5S/c1-18(2)12-7-9-15-21(19(3)4)29(36)38-30(37)25-31(5,6)39-28-24(27(35)33(25)28)32-26(34)23-17-11-14-20-13-8-10-16-22(20)23/h8,10-11,13-14,16-19,21,24-25,28H,7,9,12,15H2,1-6H3,(H,32,34)