3,3-dimethyl-2-[1-[(4-propan-2-yloxyphenyl)methyl]-1,2,3,4-tetrazol-5-yl]-6-[(triphenylmethyl)amino]-4-thia-1-azabicyclo[3.2.0]heptan-7-one

Systemtic Name: 3,3-dimethyl-2-[1-[(4-propan-2-yloxyphenyl)methyl]-1,2,3,4-tetrazol-5-yl]-6-[(triphenylmethyl)amino]-4-thia-1-azabicyclo[3.2.0]heptan-7-one Openeye Name: 2-[1-[(4-isopropoxyphenyl)methyl]tetrazol-5-yl]-3,3-dimethyl-6-(tritylamino)-4-thia-1-azabicyclo[3.2.0]heptan-7-one CAS Name: 3,3-dimethyl-2-[1-[(4-propan-2-yloxyphenyl)methyl]-5-tetrazolyl]-6-[(triphenylmethyl)amino]-4-thia-1-azabicyclo[3.2.0]heptan-7-one IUPAC Name: 3,3-dimethyl-2-[1-[(4-propan-2-yloxyphenyl)methyl]tetrazol-5-yl]-6-(tritylamino)-4-thia-1-azabicyclo[3.2.0]heptan-7-one Traditional Name: 2-[1-(4-isopropoxybenzyl)tetrazol-5-yl]-3,3-dimethyl-6-(tritylamino)-4-thia-1-azabicyclo[3.2.0]heptan-7-one Formula: C37H38N6O2S MolecularWeight: 630.80162

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)CN2C(=NN=N2)C3C(SC4N3C(=O)C4NC(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7)(C)C

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)CN2C(=NN=N2)C3C(SC4N3C(=O)C4NC(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7)(C)C

InChI

InChI=1S/C37H38N6O2S/c1-25(2)45-30-22-20-26(21-23-30)24-42-33(39-40-41-42)32-36(3,4)46-35-31(34(44)43(32)35)38-37(27-14-8-5-9-15-27,28-16-10-6-11-17-28)29-18-12-7-13-19-29/h5-23,25,31-32,35,38H,24H2,1-4H3