S-[(3Z)-3-(1,2-oxazol-5-ylmethylidene)-1-(triphenylmethyl)piperidin-4-yl] ethanethioate

Systemtic Name: S-[(3Z)-3-(1,2-oxazol-5-ylmethylidene)-1-(triphenylmethyl)piperidin-4-yl] ethanethioate Openeye Name: S-[(3Z)-3-(isoxazol-5-ylmethylene)-1-trityl-4-piperidyl] ethanethioate CAS Name: ethanethioic acid S-[(3Z)-3-(5-isoxazolylmethylidene)-1-(triphenylmethyl)-4-piperidinyl] ester IUPAC Name: S-[(3Z)-3-(1,2-oxazol-5-ylmethylidene)-1-tritylpiperidin-4-yl] ethanethioate Traditional Name: ethanethioic acid S-[(3Z)-3-(isoxazol-5-ylmethylene)-1-trityl-4-piperidyl] ester Formula: C30H28N2O2S MolecularWeight: 480.62052

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC1CCN(CC1=CC2=CC=NO2)C(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC(=O)SC\1CCN(C/C1=C/C2=CC=NO2)C(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C30H28N2O2S/c1-23(33)35-29-18-20-32(22-24(29)21-28-17-19-31-34-28)30(25-11-5-2-6-12-25,26-13-7-3-8-14-26)27-15-9-4-10-16-27/h2-17,19,21,29H,18,20,22H2,1H3/b24-21-