2-ethoxy-4-[(3-ethoxy-4-isocyanato-phenyl)methylsulfanylmethyl]-1-isocyanato-benzene

Systemtic Name: 2-ethoxy-4-[(3-ethoxy-4-isocyanato-phenyl)methylsulfanylmethyl]-1-isocyanato-benzene Openeye Name: 2-ethoxy-4-[(3-ethoxy-4-isocyanato-phenyl)methylsulfanylmethyl]-1-isocyanato-benzene CAS Name: 2-ethoxy-4-[[(3-ethoxy-4-isocyanatophenyl)methylthio]methyl]-1-isocyanatobenzene IUPAC Name: 2-ethoxy-4-[(3-ethoxy-4-isocyanatophenyl)methylsulfanylmethyl]-1-isocyanatobenzene Traditional Name: 2-ethoxy-4-[[(3-ethoxy-4-isocyanato-benzyl)thio]methyl]-1-isocyanato-benzene Formula: C20H20N2O4S MolecularWeight: 384.4488

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)CSCC2=CC(=C(C=C2)N=C=O)OCC)N=C=O

Isomeric SMILES

CCOC1=C(C=CC(=C1)CSCC2=CC(=C(C=C2)N=C=O)OCC)N=C=O

InChI

InChI=1S/C20H20N2O4S/c1-3-25-19-9-15(5-7-17(19)21-13-23)11-27-12-16-6-8-18(22-14-24)20(10-16)26-4-2/h5-10H,3-4,11-12H2,1-2H3