ethyl 2-[[2-[(triphenylmethyl)amino]-3-(triphenylmethyl)sulfanyl-propanoyl]amino]ethanoate

Systemtic Name: ethyl 2-[[2-[(triphenylmethyl)amino]-3-(triphenylmethyl)sulfanyl-propanoyl]amino]ethanoate Openeye Name: ethyl 2-[[2-(tritylamino)-3-tritylsulfanyl-propanoyl]amino]acetate CAS Name: 2-[[1-oxo-2-[(triphenylmethyl)amino]-3-[(triphenylmethyl)thio]propyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[2-(tritylamino)-3-tritylsulfanylpropanoyl]amino]acetate Traditional Name: 2-[[2-(tritylamino)-3-(tritylthio)propanoyl]amino]acetic acid ethyl ester Formula: C45H42N2O3S MolecularWeight: 690.89158

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CNC(=O)C(CSC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)NC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

CCOC(=O)CNC(=O)C(CSC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)NC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C45H42N2O3S/c1-2-50-42(48)33-46-43(49)41(47-44(35-21-9-3-10-22-35,36-23-11-4-12-24-36)37-25-13-5-14-26-37)34-51-45(38-27-15-6-16-28-38,39-29-17-7-18-30-39)40-31-19-8-20-32-40/h3-32,41,47H,2,33-34H2,1H3,(H,46,49)