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

Systemtic Name: methyl 5-methyl-2-(3-phenylprop-2-ynoylamino)thiophene-3-carboxylate Openeye Name: methyl 5-methyl-2-(3-phenylprop-2-ynoylamino)thiophene-3-carboxylate CAS Name: 5-methyl-2-[(1-oxo-3-phenylprop-2-ynyl)amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-methyl-2-(3-phenylprop-2-ynoylamino)thiophene-3-carboxylate Traditional Name: 5-methyl-2-[(3-phenylpropioloyl)amino]thiophene-3-carboxylic acid methyl ester Formula: C16H13NO3S MolecularWeight: 299.34432

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13NO3S/c1-11-10-13(16(19)20-2)15(21-11)17-14(18)9-8-12-6-4-3-5-7-12/h3-7,10H,1-2H3,(H,17,18)