2-[2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)iminomethyl]phenoxy]ethanoate

Systemtic Name: 2-[2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)iminomethyl]phenoxy]ethanoate Openeye Name: 2-[2-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)iminomethyl]phenoxy]acetate CAS Name: 2-[2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)iminomethyl]phenoxy]acetate IUPAC Name: 2-[2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)iminomethyl]phenoxy]acetate Traditional Name: 2-[2-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)iminomethyl]phenoxy]acetate Formula: C18H15N2O3S- MolecularWeight: 339.3883

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)N=CC3=CC=CC=C3OCC(=O)[O-])C#N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)N=CC3=CC=CC=C3OCC(=O)[O-])C#N

InChI

InChI=1S/C18H16N2O3S/c19-9-14-13-6-2-4-8-16(13)24-18(14)20-10-12-5-1-3-7-15(12)23-11-17(21)22/h1,3,5,7,10H,2,4,6,8,11H2,(H,21,22)/p-1