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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)N=CC3=CC=C(C=C3)OCC(=O)[O-])C#N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)N=CC3=CC=C(C=C3)OCC(=O)[O-])C#N

InChI

InChI=1S/C18H16N2O3S/c19-9-15-14-3-1-2-4-16(14)24-18(15)20-10-12-5-7-13(8-6-12)23-11-17(21)22/h5-8,10H,1-4,11H2,(H,21,22)/p-1