ethyl 2-[[3-(cyclohex-3-en-1-ylmethoxy)quinoxalin-2-yl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[[3-(cyclohex-3-en-1-ylmethoxy)quinoxalin-2-yl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[3-(cyclohex-3-en-1-ylmethoxy)quinoxalin-2-yl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[3-(1-cyclohex-3-enylmethoxy)-2-quinoxalinyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[3-(cyclohex-3-en-1-ylmethoxy)quinoxalin-2-yl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[3-(cyclohex-3-en-1-ylmethoxy)quinoxalin-2-yl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C26H29N3O3S MolecularWeight: 463.59176

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC3=NC4=CC=CC=C4N=C3OCC5CCC=CC5

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC3=NC4=CC=CC=C4N=C3OCC5CCC=CC5

InChI

InChI=1S/C26H29N3O3S/c1-2-31-26(30)22-18-12-6-9-15-21(18)33-25(22)29-23-24(32-16-17-10-4-3-5-11-17)28-20-14-8-7-13-19(20)27-23/h3-4,7-8,13-14,17H,2,5-6,9-12,15-16H2,1H3,(H,27,29)