methyl 4-(3,4-dichlorophenyl)-5-methyl-2-(3-phenylprop-2-ynoylamino)thiophene-3-carboxylate

Systemtic Name: methyl 4-(3,4-dichlorophenyl)-5-methyl-2-(3-phenylprop-2-ynoylamino)thiophene-3-carboxylate Openeye Name: methyl 4-(3,4-dichlorophenyl)-5-methyl-2-(3-phenylprop-2-ynoylamino)thiophene-3-carboxylate CAS Name: 4-(3,4-dichlorophenyl)-5-methyl-2-[(1-oxo-3-phenylprop-2-ynyl)amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-(3,4-dichlorophenyl)-5-methyl-2-(3-phenylprop-2-ynoylamino)thiophene-3-carboxylate Traditional Name: 4-(3,4-dichlorophenyl)-5-methyl-2-[(3-phenylpropioloyl)amino]thiophene-3-carboxylic acid methyl ester Formula: C22H15Cl2NO3S MolecularWeight: 444.3304

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(S1)NC(=O)C#CC2=CC=CC=C2)C(=O)OC)C3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

CC1=C(C(=C(S1)NC(=O)C#CC2=CC=CC=C2)C(=O)OC)C3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C22H15Cl2NO3S/c1-13-19(15-9-10-16(23)17(24)12-15)20(22(27)28-2)21(29-13)25-18(26)11-8-14-6-4-3-5-7-14/h3-7,9-10,12H,1-2H3,(H,25,26)