ethyl 3-azanyl-2-(4-bromophenyl)carbonyl-4-(4-methoxycarbonylphenyl)-6-methyl-4,7-dihydrothieno[2,3-b]pyridine-5-carboxylate

Systemtic Name: ethyl 3-azanyl-2-(4-bromophenyl)carbonyl-4-(4-methoxycarbonylphenyl)-6-methyl-4,7-dihydrothieno[2,3-b]pyridine-5-carboxylate Openeye Name: ethyl 3-amino-2-(4-bromobenzoyl)-4-(4-methoxycarbonylphenyl)-6-methyl-4,7-dihydrothieno[2,3-b]pyridine-5-carboxylate CAS Name: 3-amino-2-[(4-bromophenyl)-oxomethyl]-4-(4-methoxycarbonylphenyl)-6-methyl-4,7-dihydrothieno[2,3-b]pyridine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 3-amino-2-(4-bromobenzoyl)-4-(4-methoxycarbonylphenyl)-6-methyl-4,7-dihydrothieno[2,3-b]pyridine-5-carboxylate Traditional Name: 3-amino-2-(4-bromobenzoyl)-4-(4-carbomethoxyphenyl)-6-methyl-4,7-dihydrothieno[2,3-b]pyridine-5-carboxylic acid ethyl ester Formula: C26H23BrN2O5S MolecularWeight: 555.44022

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC2=C(C1C3=CC=C(C=C3)C(=O)OC)C(=C(S2)C(=O)C4=CC=C(C=C4)Br)N)C

Isomeric SMILES

CCOC(=O)C1=C(NC2=C(C1C3=CC=C(C=C3)C(=O)OC)C(=C(S2)C(=O)C4=CC=C(C=C4)Br)N)C

InChI

InChI=1S/C26H23BrN2O5S/c1-4-34-26(32)18-13(2)29-24-20(19(18)14-5-7-16(8-6-14)25(31)33-3)21(28)23(35-24)22(30)15-9-11-17(27)12-10-15/h5-12,19,29H,4,28H2,1-3H3