ethyl 3-[[N'-(triphenylmethyl)carbamimidoyl]sulfanylmethyl]thiophene-2-carboxylate

Systemtic Name: ethyl 3-[[N'-(triphenylmethyl)carbamimidoyl]sulfanylmethyl]thiophene-2-carboxylate Openeye Name: ethyl 3-[(N'-tritylcarbamimidoyl)sulfanylmethyl]thiophene-2-carboxylate CAS Name: 3-[[[amino-(triphenylmethyl)iminomethyl]thio]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[(N'-tritylcarbamimidoyl)sulfanylmethyl]thiophene-2-carboxylate Traditional Name: 3-[[(N'-tritylamidino)thio]methyl]thiophene-2-carboxylic acid ethyl ester Formula: C28H26N2O2S2 MolecularWeight: 486.64824

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=CS1)CSC(=NC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)N

Isomeric SMILES

CCOC(=O)C1=C(C=CS1)CSC(=NC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)N

InChI

InChI=1S/C28H26N2O2S2/c1-2-32-26(31)25-21(18-19-33-25)20-34-27(29)30-28(22-12-6-3-7-13-22,23-14-8-4-9-15-23)24-16-10-5-11-17-24/h3-19H,2,20H2,1H3,(H2,29,30)