ethyl 5-azanyl-4-cyano-3-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl)piperidin-1-yl]methyl]thiophene-2-carboxylate

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl)piperidin-1-yl]methyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-1-piperidyl]methyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[4-[2,3-dihydro-1,4-benzodioxin-6-yl(oxo)methyl]-1-piperidinyl]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-yl]methyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[[4-(2,3-dihydro-1,4-benzodioxin-6-carbonyl)piperidino]methyl]thiophene-2-carboxylic acid ethyl ester Formula: C23H25N3O5S MolecularWeight: 455.5267

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)CN2CCC(CC2)C(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)CN2CCC(CC2)C(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C23H25N3O5S/c1-2-29-23(28)21-17(16(12-24)22(25)32-21)13-26-7-5-14(6-8-26)20(27)15-3-4-18-19(11-15)31-10-9-30-18/h3-4,11,14H,2,5-10,13,25H2,1H3