methyl 2-[2-(2-oxidanylidenequinoxalin-1-yl)ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 2-[2-(2-oxidanylidenequinoxalin-1-yl)ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[[2-(2-oxoquinoxalin-1-yl)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[1-oxo-2-(2-oxo-1-quinoxalinyl)ethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(2-oxoquinoxalin-1-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-(2-ketoquinoxalin-1-yl)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C20H19N3O4S MolecularWeight: 397.44756

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1CCCC2)NC(=O)CN3C4=CC=CC=C4N=CC3=O

Isomeric SMILES

COC(=O)C1=C(SC2=C1CCCC2)NC(=O)CN3C4=CC=CC=C4N=CC3=O

InChI

InChI=1S/C20H19N3O4S/c1-27-20(26)18-12-6-2-5-9-15(12)28-19(18)22-16(24)11-23-14-8-4-3-7-13(14)21-10-17(23)25/h3-4,7-8,10H,2,5-6,9,11H2,1H3,(H,22,24)