ethyl 5-azanyl-3-[[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]methyl]-4-cyano-thiophene-2-carboxylate

Systemtic Name: ethyl 5-azanyl-3-[[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]methyl]-4-cyano-thiophene-2-carboxylate Openeye Name: ethyl 5-amino-3-[[3-(1,3-benzoxazol-2-yl)-1-piperidyl]methyl]-4-cyano-thiophene-2-carboxylate CAS Name: 5-amino-3-[[3-(1,3-benzoxazol-2-yl)-1-piperidinyl]methyl]-4-cyano-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-3-[[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]methyl]-4-cyanothiophene-2-carboxylate Traditional Name: 5-amino-3-[[3-(1,3-benzoxazol-2-yl)piperidino]methyl]-4-cyano-thiophene-2-carboxylic acid ethyl ester Formula: C21H22N4O3S MolecularWeight: 410.48938

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)CN2CCCC(C2)C3=NC4=CC=CC=C4O3

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)CN2CCCC(C2)C3=NC4=CC=CC=C4O3

InChI

InChI=1S/C21H22N4O3S/c1-2-27-21(26)18-15(14(10-22)19(23)29-18)12-25-9-5-6-13(11-25)20-24-16-7-3-4-8-17(16)28-20/h3-4,7-8,13H,2,5-6,9,11-12,23H2,1H3