1-[(5-chloranyl-1,2-benzoxazol-3-yl)oxy]-3-methylsulfanyl-N-(triphenylmethyl)butan-2-amine

Systemtic Name: 1-[(5-chloranyl-1,2-benzoxazol-3-yl)oxy]-3-methylsulfanyl-N-(triphenylmethyl)butan-2-amine Openeye Name: 1-[(5-chloro-1,2-benzoxazol-3-yl)oxy]-3-methylsulfanyl-N-trityl-butan-2-amine CAS Name: 1-[(5-chloro-1,2-benzoxazol-3-yl)oxy]-3-(methylthio)-N-(triphenylmethyl)-2-butanamine IUPAC Name: 1-[(5-chloro-1,2-benzoxazol-3-yl)oxy]-3-methylsulfanyl-N-tritylbutan-2-amine Traditional Name: [1-[(5-chloroindoxazen-3-yl)oxymethyl]-2-(methylthio)propyl]-trityl-amine Formula: C31H29ClN2O2S MolecularWeight: 529.09216

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(COC1=NOC2=C1C=C(C=C2)Cl)NC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)SC

Isomeric SMILES

CC(C(COC1=NOC2=C1C=C(C=C2)Cl)NC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)SC

InChI

InChI=1S/C31H29ClN2O2S/c1-22(37-2)28(21-35-30-27-20-26(32)18-19-29(27)36-34-30)33-31(23-12-6-3-7-13-23,24-14-8-4-9-15-24)25-16-10-5-11-17-25/h3-20,22,28,33H,21H2,1-2H3