ethyl 2-[2-(3-oxidanylidene-2,4-dihydro-1H-quinoxalin-2-yl)ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-(3-oxidanylidene-2,4-dihydro-1H-quinoxalin-2-yl)ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[1-oxo-2-(3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)ethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-(3-keto-2,4-dihydro-1H-quinoxalin-2-yl)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CC3C(=O)NC4=CC=CC=C4N3

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CC3C(=O)NC4=CC=CC=C4N3

InChI

InChI=1S/C21H23N3O4S/c1-2-28-21(27)18-12-7-3-6-10-16(12)29-20(18)24-17(25)11-15-19(26)23-14-9-5-4-8-13(14)22-15/h4-5,8-9,15,22H,2-3,6-7,10-11H2,1H3,(H,23,26)(H,24,25)