2-[2-isocyano-1-(3,4,5-trimethoxyphenyl)butan-2-yl]thiophene

Systemtic Name: 2-[2-isocyano-1-(3,4,5-trimethoxyphenyl)butan-2-yl]thiophene Openeye Name: 2-[1-isocyano-1-[(3,4,5-trimethoxyphenyl)methyl]propyl]thiophene CAS Name: 2-[2-isocyano-1-(3,4,5-trimethoxyphenyl)butan-2-yl]thiophene IUPAC Name: 2-[2-isocyano-1-(3,4,5-trimethoxyphenyl)butan-2-yl]thiophene Traditional Name: 2-[1-isocyano-1-(3,4,5-trimethoxybenzyl)propyl]thiophene Formula: C18H21NO3S MolecularWeight: 331.42924

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC1=CC(=C(C(=C1)OC)OC)OC)(C2=CC=CS2)[N+]#[C-]

Isomeric SMILES

CCC(CC1=CC(=C(C(=C1)OC)OC)OC)(C2=CC=CS2)[N+]#[C-]

InChI

InChI=1S/C18H21NO3S/c1-6-18(19-2,16-8-7-9-23-16)12-13-10-14(20-3)17(22-5)15(11-13)21-4/h7-11H,6,12H2,1,3-5H3