ethyl 2-(2-bromanylethanoylamino)-3-(triphenylmethyl)sulfanyl-propanoate

Systemtic Name: ethyl 2-(2-bromanylethanoylamino)-3-(triphenylmethyl)sulfanyl-propanoate Openeye Name: ethyl 2-[(2-bromoacetyl)amino]-3-tritylsulfanyl-propanoate CAS Name: 2-[(2-bromo-1-oxoethyl)amino]-3-[(triphenylmethyl)thio]propanoic acid ethyl ester IUPAC Name: ethyl 2-[(2-bromoacetyl)amino]-3-tritylsulfanylpropanoate Traditional Name: 2-[(2-bromoacetyl)amino]-3-(tritylthio)propionic acid ethyl ester Formula: C26H26BrNO3S MolecularWeight: 512.45854

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CSC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)NC(=O)CBr

Isomeric SMILES

CCOC(=O)C(CSC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)NC(=O)CBr

InChI

InChI=1S/C26H26BrNO3S/c1-2-31-25(30)23(28-24(29)18-27)19-32-26(20-12-6-3-7-13-20,21-14-8-4-9-15-21)22-16-10-5-11-17-22/h3-17,23H,2,18-19H2,1H3,(H,28,29)