ethyl 4-(4-bromophenyl)-2-(3-phenylprop-2-ynoylamino)thiophene-3-carboxylate

Systemtic Name: ethyl 4-(4-bromophenyl)-2-(3-phenylprop-2-ynoylamino)thiophene-3-carboxylate Openeye Name: ethyl 4-(4-bromophenyl)-2-(3-phenylprop-2-ynoylamino)thiophene-3-carboxylate CAS Name: 4-(4-bromophenyl)-2-[(1-oxo-3-phenylprop-2-ynyl)amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-bromophenyl)-2-(3-phenylprop-2-ynoylamino)thiophene-3-carboxylate Traditional Name: 4-(4-bromophenyl)-2-[(3-phenylpropioloyl)amino]thiophene-3-carboxylic acid ethyl ester Formula: C22H16BrNO3S MolecularWeight: 454.33634

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)Br)NC(=O)C#CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)Br)NC(=O)C#CC3=CC=CC=C3

InChI

InChI=1S/C22H16BrNO3S/c1-2-27-22(26)20-18(16-9-11-17(23)12-10-16)14-28-21(20)24-19(25)13-8-15-6-4-3-5-7-15/h3-7,9-12,14H,2H2,1H3,(H,24,25)