ethyl 4-azanyl-5-(4-bromophenyl)carbonyl-2-[(2,6-dimethylphenyl)amino]thiophene-3-carboxylate

Systemtic Name: ethyl 4-azanyl-5-(4-bromophenyl)carbonyl-2-[(2,6-dimethylphenyl)amino]thiophene-3-carboxylate Openeye Name: ethyl 4-amino-5-(4-bromobenzoyl)-2-(2,6-dimethylanilino)thiophene-3-carboxylate CAS Name: 4-amino-5-[(4-bromophenyl)-oxomethyl]-2-(2,6-dimethylanilino)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-5-(4-bromobenzoyl)-2-(2,6-dimethylanilino)thiophene-3-carboxylate Traditional Name: 4-amino-5-(4-bromobenzoyl)-2-(2,6-dimethylanilino)thiophene-3-carboxylic acid ethyl ester Formula: C22H21BrN2O3S MolecularWeight: 473.38274

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1N)C(=O)C2=CC=C(C=C2)Br)NC3=C(C=CC=C3C)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1N)C(=O)C2=CC=C(C=C2)Br)NC3=C(C=CC=C3C)C

InChI

InChI=1S/C22H21BrN2O3S/c1-4-28-22(27)16-17(24)20(19(26)14-8-10-15(23)11-9-14)29-21(16)25-18-12(2)6-5-7-13(18)3/h5-11,25H,4,24H2,1-3H3