ethyl 2-[(3-piperidin-1-ylquinoxalin-2-yl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[(3-piperidin-1-ylquinoxalin-2-yl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[3-(1-piperidyl)quinoxalin-2-yl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[3-(1-piperidinyl)-2-quinoxalinyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(3-piperidin-1-ylquinoxalin-2-yl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(3-piperidinoquinoxalin-2-yl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C24H28N4O2S MolecularWeight: 436.56972

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC3=NC4=CC=CC=C4N=C3N5CCCCC5

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC3=NC4=CC=CC=C4N=C3N5CCCCC5

InChI

InChI=1S/C24H28N4O2S/c1-2-30-24(29)20-16-10-4-7-13-19(16)31-23(20)27-21-22(28-14-8-3-9-15-28)26-18-12-6-5-11-17(18)25-21/h5-6,11-12H,2-4,7-10,13-15H2,1H3,(H,25,27)