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

Systemtic Name: methyl (6S)-6-methyl-2-[2-(4-oxidanylidenecinnolin-1-yl)ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl (6S)-6-methyl-2-[[2-(4-oxocinnolin-1-yl)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: (6S)-6-methyl-2-[[1-oxo-2-(4-oxo-1-cinnolinyl)ethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl (6S)-6-methyl-2-[[2-(4-oxocinnolin-1-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: (6S)-2-[[2-(4-ketocinnolin-1-yl)acetyl]amino]-6-methyl-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:

CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)CN3C4=CC=CC=C4C(=O)C=N3

Isomeric SMILES

C[C@H]1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)CN3C4=CC=CC=C4C(=O)C=N3

InChI

InChI=1S/C21H21N3O4S/c1-12-7-8-14-17(9-12)29-20(19(14)21(27)28-2)23-18(26)11-24-15-6-4-3-5-13(15)16(25)10-22-24/h3-6,10,12H,7-9,11H2,1-2H3,(H,23,26)/t12-/m0/s1