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

Systemtic Name: methyl 2-[3-(3-oxidanylidene-4H-quinoxalin-2-yl)propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O4S/c1-28-21(27)18-12-6-2-5-9-16(12)29-20(18)24-17(25)11-10-15-19(26)23-14-8-4-3-7-13(14)22-15/h3-4,7-8H,2,5-6,9-11H2,1H3,(H,23,26)(H,24,25)