ethyl 2-[5-[5-[(4-methylphenyl)iminomethyl]thiophen-2-yl]thiophen-2-yl]quinoline-4-carboxylate

Systemtic Name: ethyl 2-[5-[5-[(4-methylphenyl)iminomethyl]thiophen-2-yl]thiophen-2-yl]quinoline-4-carboxylate Openeye Name: ethyl 2-[5-[5-(p-tolyliminomethyl)-2-thienyl]-2-thienyl]quinoline-4-carboxylate CAS Name: 2-[5-[5-[(4-methylphenyl)iminomethyl]-2-thiophenyl]-2-thiophenyl]-4-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[5-[5-[(4-methylphenyl)iminomethyl]thiophen-2-yl]thiophen-2-yl]quinoline-4-carboxylate Traditional Name: 2-[5-[5-(p-tolyliminomethyl)-2-thienyl]-2-thienyl]cinchoninic acid ethyl ester Formula: C28H22N2O2S2 MolecularWeight: 482.61648

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=C(S3)C4=CC=C(S4)C=NC5=CC=C(C=C5)C

Isomeric SMILES

CCOC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=C(S3)C4=CC=C(S4)C=NC5=CC=C(C=C5)C

InChI

InChI=1S/C28H22N2O2S2/c1-3-32-28(31)22-16-24(30-23-7-5-4-6-21(22)23)25-14-15-27(34-25)26-13-12-20(33-26)17-29-19-10-8-18(2)9-11-19/h4-17H,3H2,1-2H3