methyl 4-methyl-5-morpholin-4-ylcarbonyl-2-(3-phenylpropanoylamino)thiophene-3-carboxylate

Systemtic Name: methyl 4-methyl-5-morpholin-4-ylcarbonyl-2-(3-phenylpropanoylamino)thiophene-3-carboxylate Openeye Name: methyl 4-methyl-5-(morpholine-4-carbonyl)-2-(3-phenylpropanoylamino)thiophene-3-carboxylate CAS Name: 4-methyl-5-[4-morpholinyl(oxo)methyl]-2-[(1-oxo-3-phenylpropyl)amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-methyl-5-(morpholine-4-carbonyl)-2-(3-phenylpropanoylamino)thiophene-3-carboxylate Traditional Name: 2-(hydrocinnamoylamino)-4-methyl-5-(morpholine-4-carbonyl)thiophene-3-carboxylic acid methyl ester Formula: C21H24N2O5S MolecularWeight: 416.49066

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)CCC2=CC=CC=C2)C(=O)N3CCOCC3

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)CCC2=CC=CC=C2)C(=O)N3CCOCC3

InChI

InChI=1S/C21H24N2O5S/c1-14-17(21(26)27-2)19(22-16(24)9-8-15-6-4-3-5-7-15)29-18(14)20(25)23-10-12-28-13-11-23/h3-7H,8-13H2,1-2H3,(H,22,24)