methyl 5-(1-phenylethyl)-2-(3-phenylprop-2-ynoylamino)thiophene-3-carboxylate

Systemtic Name: methyl 5-(1-phenylethyl)-2-(3-phenylprop-2-ynoylamino)thiophene-3-carboxylate Openeye Name: methyl 5-(1-phenylethyl)-2-(3-phenylprop-2-ynoylamino)thiophene-3-carboxylate CAS Name: 2-[(1-oxo-3-phenylprop-2-ynyl)amino]-5-(1-phenylethyl)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-(1-phenylethyl)-2-(3-phenylprop-2-ynoylamino)thiophene-3-carboxylate Traditional Name: 5-(1-phenylethyl)-2-[(3-phenylpropioloyl)amino]thiophene-3-carboxylic acid methyl ester Formula: C23H19NO3S MolecularWeight: 389.46686

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)C2=CC(=C(S2)NC(=O)C#CC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CC(C1=CC=CC=C1)C2=CC(=C(S2)NC(=O)C#CC3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C23H19NO3S/c1-16(18-11-7-4-8-12-18)20-15-19(23(26)27-2)22(28-20)24-21(25)14-13-17-9-5-3-6-10-17/h3-12,15-16H,1-2H3,(H,24,25)