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

Systemtic Name: methyl 4-[(E)-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)iminomethyl]benzoate Openeye Name: methyl 4-[(E)-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)iminomethyl]benzoate CAS Name: 4-[(E)-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)iminomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(E)-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)iminomethyl]benzoate Traditional Name: 4-[(E)-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)iminomethyl]benzoic acid methyl ester Formula: C18H16N2O2S MolecularWeight: 324.39684

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C=NC2=C(C3=C(S2)CCCC3)C#N

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)/C=N/C2=C(C3=C(S2)CCCC3)C#N

InChI

InChI=1S/C18H16N2O2S/c1-22-18(21)13-8-6-12(7-9-13)11-20-17-15(10-19)14-4-2-3-5-16(14)23-17/h6-9,11H,2-5H2,1H3/b20-11+