ethyl 5-(dimethylaminomethyl)-4-phenyl-2-(2-piperidin-1-ylethanoylamino)thiophene-3-carboxylate

Systemtic Name: ethyl 5-(dimethylaminomethyl)-4-phenyl-2-(2-piperidin-1-ylethanoylamino)thiophene-3-carboxylate Openeye Name: ethyl 5-(dimethylaminomethyl)-4-phenyl-2-[[2-(1-piperidyl)acetyl]amino]thiophene-3-carboxylate CAS Name: 5-(dimethylaminomethyl)-2-[[1-oxo-2-(1-piperidinyl)ethyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(dimethylaminomethyl)-4-phenyl-2-[(2-piperidin-1-ylacetyl)amino]thiophene-3-carboxylate Traditional Name: 5-(dimethylaminomethyl)-4-phenyl-2-[(2-piperidinoacetyl)amino]thiophene-3-carboxylic acid ethyl ester Formula: C23H31N3O3S MolecularWeight: 429.57554

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)CN(C)C)NC(=O)CN3CCCCC3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)CN(C)C)NC(=O)CN3CCCCC3

InChI

InChI=1S/C23H31N3O3S/c1-4-29-23(28)21-20(17-11-7-5-8-12-17)18(15-25(2)3)30-22(21)24-19(27)16-26-13-9-6-10-14-26/h5,7-8,11-12H,4,6,9-10,13-16H2,1-3H3,(H,24,27)