methyl 3-[2-(2,4-dimethylphenyl)ethanoylamino]-5-phenyl-thiophene-2-carboxylate

Systemtic Name: methyl 3-[2-(2,4-dimethylphenyl)ethanoylamino]-5-phenyl-thiophene-2-carboxylate Openeye Name: methyl 3-[[2-(2,4-dimethylphenyl)acetyl]amino]-5-phenyl-thiophene-2-carboxylate CAS Name: 3-[[2-(2,4-dimethylphenyl)-1-oxoethyl]amino]-5-phenyl-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[[2-(2,4-dimethylphenyl)acetyl]amino]-5-phenylthiophene-2-carboxylate Traditional Name: 3-[[2-(2,4-dimethylphenyl)acetyl]amino]-5-phenyl-thiophene-2-carboxylic acid methyl ester Formula: C22H21NO3S MolecularWeight: 379.47204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)CC(=O)NC2=C(SC(=C2)C3=CC=CC=C3)C(=O)OC)C

Isomeric SMILES

CC1=CC(=C(C=C1)CC(=O)NC2=C(SC(=C2)C3=CC=CC=C3)C(=O)OC)C

InChI

InChI=1S/C22H21NO3S/c1-14-9-10-17(15(2)11-14)12-20(24)23-18-13-19(16-7-5-4-6-8-16)27-21(18)22(25)26-3/h4-11,13H,12H2,1-3H3,(H,23,24)