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

Systemtic Name: 4-[(E)-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)iminomethyl]benzoic acid Openeye Name: 4-[(E)-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)iminomethyl]benzoic acid CAS Name: 4-[(E)-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)iminomethyl]benzoic acid IUPAC Name: 4-[(E)-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)iminomethyl]benzoic acid Traditional Name: 4-[(E)-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)iminomethyl]benzoic acid Formula: C17H14N2O2S MolecularWeight: 310.37026

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)N=CC3=CC=C(C=C3)C(=O)O)C#N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)/N=C/C3=CC=C(C=C3)C(=O)O)C#N

InChI

InChI=1S/C17H14N2O2S/c18-9-14-13-3-1-2-4-15(13)22-16(14)19-10-11-5-7-12(8-6-11)17(20)21/h5-8,10H,1-4H2,(H,20,21)/b19-10+