ethyl 3-azanyl-4-(4-bromophenyl)-6-methyl-2-(4-methylphenyl)carbonyl-thieno[2,3-b]pyridine-5-carboxylate

Systemtic Name: ethyl 3-azanyl-4-(4-bromophenyl)-6-methyl-2-(4-methylphenyl)carbonyl-thieno[2,3-b]pyridine-5-carboxylate Openeye Name: ethyl 3-amino-4-(4-bromophenyl)-6-methyl-2-(4-methylbenzoyl)thieno[2,3-b]pyridine-5-carboxylate CAS Name: 3-amino-4-(4-bromophenyl)-6-methyl-2-[(4-methylphenyl)-oxomethyl]-5-thieno[2,3-b]pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-amino-4-(4-bromophenyl)-6-methyl-2-(4-methylbenzoyl)thieno[2,3-b]pyridine-5-carboxylate Traditional Name: 3-amino-4-(4-bromophenyl)-6-methyl-2-p-toluoyl-thieno[2,3-b]pyridine-5-carboxylic acid ethyl ester Formula: C25H21BrN2O3S MolecularWeight: 509.41484

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C2C(=C1C3=CC=C(C=C3)Br)C(=C(S2)C(=O)C4=CC=C(C=C4)C)N)C

Isomeric SMILES

CCOC(=O)C1=C(N=C2C(=C1C3=CC=C(C=C3)Br)C(=C(S2)C(=O)C4=CC=C(C=C4)C)N)C

InChI

InChI=1S/C25H21BrN2O3S/c1-4-31-25(30)18-14(3)28-24-20(19(18)15-9-11-17(26)12-10-15)21(27)23(32-24)22(29)16-7-5-13(2)6-8-16/h5-12H,4,27H2,1-3H3