ethyl 2-[2-(diethylamino)ethanoylamino]-5-(dimethylaminomethyl)-4-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-(diethylamino)ethanoylamino]-5-(dimethylaminomethyl)-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(diethylamino)acetyl]amino]-5-(dimethylaminomethyl)-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[2-(diethylamino)-1-oxoethyl]amino]-5-(dimethylaminomethyl)-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(diethylamino)acetyl]amino]-5-(dimethylaminomethyl)-4-phenylthiophene-3-carboxylate Traditional Name: 2-[[2-(diethylamino)acetyl]amino]-5-(dimethylaminomethyl)-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C22H31N3O3S MolecularWeight: 417.56484

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC(=O)NC1=C(C(=C(S1)CN(C)C)C2=CC=CC=C2)C(=O)OCC

Isomeric SMILES

CCN(CC)CC(=O)NC1=C(C(=C(S1)CN(C)C)C2=CC=CC=C2)C(=O)OCC

InChI

InChI=1S/C22H31N3O3S/c1-6-25(7-2)15-18(26)23-21-20(22(27)28-8-3)19(16-12-10-9-11-13-16)17(29-21)14-24(4)5/h9-13H,6-8,14-15H2,1-5H3,(H,23,26)