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

Systemtic Name: ethyl 6-methyl-2-[2-(3-oxidanylidene-2,4-dihydro-1H-quinoxalin-2-yl)ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 6-methyl-2-[[2-(3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 6-methyl-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 6-methyl-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]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C22H25N3O4S MolecularWeight: 427.5166

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)CC3C(=O)NC4=CC=CC=C4N3

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)CC3C(=O)NC4=CC=CC=C4N3

InChI

InChI=1S/C22H25N3O4S/c1-3-29-22(28)19-13-9-8-12(2)10-17(13)30-21(19)25-18(26)11-16-20(27)24-15-7-5-4-6-14(15)23-16/h4-7,12,16,23H,3,8-11H2,1-2H3,(H,24,27)(H,25,26)