S-[(3Z)-3-(phenylmethylidene)-1-(triphenylmethyl)piperidin-4-yl] ethanethioate

Systemtic Name: S-[(3Z)-3-(phenylmethylidene)-1-(triphenylmethyl)piperidin-4-yl] ethanethioate Openeye Name: S-[(3Z)-3-benzylidene-1-trityl-4-piperidyl] ethanethioate CAS Name: ethanethioic acid S-[(3Z)-3-(phenylmethylene)-1-(triphenylmethyl)-4-piperidinyl] ester IUPAC Name: S-[(3Z)-3-benzylidene-1-tritylpiperidin-4-yl] ethanethioate Traditional Name: ethanethioic acid S-[(3Z)-3-benzal-1-trityl-4-piperidyl] ester Formula: C33H31NOS MolecularWeight: 489.67034

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC1CCN(CC1=CC2=CC=CC=C2)C(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC(=O)SC\1CCN(C/C1=C/C2=CC=CC=C2)C(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C33H31NOS/c1-26(35)36-32-22-23-34(25-28(32)24-27-14-6-2-7-15-27)33(29-16-8-3-9-17-29,30-18-10-4-11-19-30)31-20-12-5-13-21-31/h2-21,24,32H,22-23,25H2,1H3/b28-24-