pentyl (E)-2-isocyano-3-(5-methylthiophen-2-yl)prop-2-enoate

Systemtic Name: pentyl (E)-2-isocyano-3-(5-methylthiophen-2-yl)prop-2-enoate Openeye Name: pentyl (E)-2-isocyano-3-(5-methyl-2-thienyl)prop-2-enoate CAS Name: (E)-2-isocyano-3-(5-methyl-2-thiophenyl)-2-propenoic acid pentyl ester IUPAC Name: pentyl (E)-2-isocyano-3-(5-methylthiophen-2-yl)prop-2-enoate Traditional Name: (E)-2-isocyano-3-(5-methyl-2-thienyl)acrylic acid amyl ester Formula: C14H17NO2S MolecularWeight: 263.35528

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)C(=CC1=CC=C(S1)C)[N+]#[C-]

Isomeric SMILES

CCCCCOC(=O)/C(=C\C1=CC=C(S1)C)/[N+]#[C-]

InChI

InChI=1S/C14H17NO2S/c1-4-5-6-9-17-14(16)13(15-3)10-12-8-7-11(2)18-12/h7-8,10H,4-6,9H2,1-2H3/b13-10+