[2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxidanylidene-ethyl] 3-quinoxalin-2-ylprop-2-enoate

Systemtic Name: [2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxidanylidene-ethyl] 3-quinoxalin-2-ylprop-2-enoate Openeye Name: [2-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-2-oxo-ethyl] 3-quinoxalin-2-ylprop-2-enoate CAS Name: 3-(2-quinoxalinyl)-2-propenoic acid [2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl] 3-quinoxalin-2-ylprop-2-enoate Traditional Name: 3-quinoxalin-2-ylacrylic acid [2-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-2-keto-ethyl] ester Formula: C22H18N4O3S MolecularWeight: 418.46832

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)COC(=O)C=CC3=NC4=CC=CC=C4N=C3)C#N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)COC(=O)C=CC3=NC4=CC=CC=C4N=C3)C#N

InChI

InChI=1S/C22H18N4O3S/c23-11-16-15-5-1-4-8-19(15)30-22(16)26-20(27)13-29-21(28)10-9-14-12-24-17-6-2-3-7-18(17)25-14/h2-3,6-7,9-10,12H,1,4-5,8,13H2,(H,26,27)