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

Systemtic Name: ethyl 2-[3-(3-oxidanylidene-4H-quinoxalin-2-yl)propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[3-(3-oxo-4H-quinoxalin-2-yl)propanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[1-oxo-3-(3-oxo-4H-quinoxalin-2-yl)propyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[3-(3-oxo-4H-quinoxalin-2-yl)propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[3-(3-keto-4H-quinoxalin-2-yl)propanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C22H23N3O4S MolecularWeight: 425.50072

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CCC3=NC4=CC=CC=C4NC3=O

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CCC3=NC4=CC=CC=C4NC3=O

InChI

InChI=1S/C22H23N3O4S/c1-2-29-22(28)19-13-7-3-6-10-17(13)30-21(19)25-18(26)12-11-16-20(27)24-15-9-5-4-8-14(15)23-16/h4-5,8-9H,2-3,6-7,10-12H2,1H3,(H,24,27)(H,25,26)