prop-2-enyl 2-[(E)-3-azanyl-3-oxidanylidene-prop-1-enyl]-5-(triphenylmethyl)sulfanyl-piperidine-1-carboxylate

Systemtic Name: prop-2-enyl 2-[(E)-3-azanyl-3-oxidanylidene-prop-1-enyl]-5-(triphenylmethyl)sulfanyl-piperidine-1-carboxylate Openeye Name: allyl 2-[(E)-3-amino-3-oxo-prop-1-enyl]-5-tritylsulfanyl-piperidine-1-carboxylate CAS Name: 2-[(E)-3-amino-3-oxoprop-1-enyl]-5-[(triphenylmethyl)thio]-1-piperidinecarboxylic acid prop-2-enyl ester IUPAC Name: prop-2-enyl 2-[(E)-3-amino-3-oxoprop-1-enyl]-5-tritylsulfanylpiperidine-1-carboxylate Traditional Name: 2-[(E)-3-amino-3-keto-prop-1-enyl]-5-(tritylthio)piperidine-1-carboxylic acid allyl ester Formula: C31H32N2O3S MolecularWeight: 512.66238

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC(=O)N1CC(CCC1C=CC(=O)N)SC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C=CCOC(=O)N1CC(CCC1/C=C/C(=O)N)SC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C31H32N2O3S/c1-2-22-36-30(35)33-23-28(20-18-27(33)19-21-29(32)34)37-31(24-12-6-3-7-13-24,25-14-8-4-9-15-25)26-16-10-5-11-17-26/h2-17,19,21,27-28H,1,18,20,22-23H2,(H2,32,34)/b21-19+