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

Systemtic Name: 2-[5-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)iminomethyl]furan-2-yl]benzoate Openeye Name: 2-[5-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)iminomethyl]-2-furyl]benzoate CAS Name: 2-[5-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)iminomethyl]-2-furanyl]benzoate IUPAC Name: 2-[5-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)iminomethyl]furan-2-yl]benzoate Traditional Name: 2-[5-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)iminomethyl]-2-furyl]benzoate Formula: C21H15N2O3S- MolecularWeight: 375.4204

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)N=CC3=CC=C(O3)C4=CC=CC=C4C(=O)[O-])C#N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)N=CC3=CC=C(O3)C4=CC=CC=C4C(=O)[O-])C#N

InChI

InChI=1S/C21H16N2O3S/c22-11-17-15-6-3-4-8-19(15)27-20(17)23-12-13-9-10-18(26-13)14-5-1-2-7-16(14)21(24)25/h1-2,5,7,9-10,12H,3-4,6,8H2,(H,24,25)/p-1