[4-[[5-[3,3-dimethyl-7-oxidanylidene-6-[(triphenylmethyl)amino]-4-thia-1-azabicyclo[3.2.0]heptan-2-yl]-1,2,3,4-tetrazol-1-yl]methyl]phenyl] methanoate

Systemtic Name: [4-[[5-[3,3-dimethyl-7-oxidanylidene-6-[(triphenylmethyl)amino]-4-thia-1-azabicyclo[3.2.0]heptan-2-yl]-1,2,3,4-tetrazol-1-yl]methyl]phenyl] methanoate Openeye Name: [4-[[5-[3,3-dimethyl-7-oxo-6-(tritylamino)-4-thia-1-azabicyclo[3.2.0]heptan-2-yl]tetrazol-1-yl]methyl]phenyl] formate CAS Name: formic acid [4-[[5-[3,3-dimethyl-7-oxo-6-[(triphenylmethyl)amino]-4-thia-1-azabicyclo[3.2.0]heptan-2-yl]-1-tetrazolyl]methyl]phenyl] ester IUPAC Name: [4-[[5-[3,3-dimethyl-7-oxo-6-(tritylamino)-4-thia-1-azabicyclo[3.2.0]heptan-2-yl]tetrazol-1-yl]methyl]phenyl] formate Traditional Name: formic acid [4-[[5-[7-keto-3,3-dimethyl-6-(tritylamino)-4-thia-1-azabicyclo[3.2.0]heptan-2-yl]tetrazol-1-yl]methyl]phenyl] ester Formula: C35H32N6O3S MolecularWeight: 616.73198

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N2C(S1)C(C2=O)NC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)C6=NN=NN6CC7=CC=C(C=C7)OC=O)C

Isomeric SMILES

CC1(C(N2C(S1)C(C2=O)NC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)C6=NN=NN6CC7=CC=C(C=C7)OC=O)C

InChI

InChI=1S/C35H32N6O3S/c1-34(2)30(31-37-38-39-40(31)22-24-18-20-28(21-19-24)44-23-42)41-32(43)29(33(41)45-34)36-35(25-12-6-3-7-13-25,26-14-8-4-9-15-26)27-16-10-5-11-17-27/h3-21,23,29-30,33,36H,22H2,1-2H3