ethyl 2-[1,3-bis(oxidanylidene)pyrrolo[3,4-b]quinoxalin-2-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[1,3-bis(oxidanylidene)pyrrolo[3,4-b]quinoxalin-2-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-(1,3-dioxopyrrolo[3,4-b]quinoxalin-2-yl)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-(1,3-dioxo-2-pyrrolo[3,4-b]quinoxalinyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(1,3-dioxopyrrolo[3,4-b]quinoxalin-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-(1,3-diketopyrrolo[3,4-b]quinoxalin-2-yl)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C21H17N3O4S MolecularWeight: 407.44238

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)N3C(=O)C4=NC5=CC=CC=C5N=C4C3=O

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)N3C(=O)C4=NC5=CC=CC=C5N=C4C3=O

InChI

InChI=1S/C21H17N3O4S/c1-2-28-21(27)15-11-7-3-6-10-14(11)29-20(15)24-18(25)16-17(19(24)26)23-13-9-5-4-8-12(13)22-16/h4-5,8-9H,2-3,6-7,10H2,1H3