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

Systemtic Name: 4-[5-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)iminomethyl]furan-2-yl]benzoic acid Openeye Name: 4-[5-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)iminomethyl]-2-furyl]benzoic acid CAS Name: 4-[5-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)iminomethyl]-2-furanyl]benzoic acid IUPAC Name: 4-[5-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)iminomethyl]furan-2-yl]benzoic acid Traditional Name: 4-[5-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)iminomethyl]-2-furyl]benzoic acid Formula: C21H16N2O3S MolecularWeight: 376.42834

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)N=CC3=CC=C(O3)C4=CC=C(C=C4)C(=O)O)C#N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)N=CC3=CC=C(O3)C4=CC=C(C=C4)C(=O)O)C#N

InChI

InChI=1S/C21H16N2O3S/c22-11-17-16-3-1-2-4-19(16)27-20(17)23-12-15-9-10-18(26-15)13-5-7-14(8-6-13)21(24)25/h5-10,12H,1-4H2,(H,24,25)