cyclohexyl 3-azanyl-4-(4-chlorophenyl)-6-(4-methylphenyl)thieno[2,3-b]pyridine-2-carboxylate

Systemtic Name: cyclohexyl 3-azanyl-4-(4-chlorophenyl)-6-(4-methylphenyl)thieno[2,3-b]pyridine-2-carboxylate Openeye Name: cyclohexyl 3-amino-4-(4-chlorophenyl)-6-(p-tolyl)thieno[2,3-b]pyridine-2-carboxylate CAS Name: 3-amino-4-(4-chlorophenyl)-6-(4-methylphenyl)-2-thieno[2,3-b]pyridinecarboxylic acid cyclohexyl ester IUPAC Name: cyclohexyl 3-amino-4-(4-chlorophenyl)-6-(4-methylphenyl)thieno[2,3-b]pyridine-2-carboxylate Traditional Name: 3-amino-4-(4-chlorophenyl)-6-(p-tolyl)thieno[2,3-b]pyridine-2-carboxylic acid cyclohexyl ester Formula: C27H25ClN2O2S MolecularWeight: 477.0176

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC3=C(C(=C2)C4=CC=C(C=C4)Cl)C(=C(S3)C(=O)OC5CCCCC5)N

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC3=C(C(=C2)C4=CC=C(C=C4)Cl)C(=C(S3)C(=O)OC5CCCCC5)N

InChI

InChI=1S/C27H25ClN2O2S/c1-16-7-9-18(10-8-16)22-15-21(17-11-13-19(28)14-12-17)23-24(29)25(33-26(23)30-22)27(31)32-20-5-3-2-4-6-20/h7-15,20H,2-6,29H2,1H3