methyl (6R)-6-phenyl-2-(pyrazin-2-ylcarbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl (6R)-6-phenyl-2-(pyrazin-2-ylcarbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl (6R)-6-phenyl-2-(pyrazine-2-carbonylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: (6R)-2-[[oxo(2-pyrazinyl)methyl]amino]-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl (6R)-6-phenyl-2-(pyrazine-2-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: (6R)-6-phenyl-2-(pyrazinoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C21H19N3O3S MolecularWeight: 393.45886

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1CCC(C2)C3=CC=CC=C3)NC(=O)C4=NC=CN=C4

Isomeric SMILES

COC(=O)C1=C(SC2=C1CC[C@H](C2)C3=CC=CC=C3)NC(=O)C4=NC=CN=C4

InChI

InChI=1S/C21H19N3O3S/c1-27-21(26)18-15-8-7-14(13-5-3-2-4-6-13)11-17(15)28-20(18)24-19(25)16-12-22-9-10-23-16/h2-6,9-10,12,14H,7-8,11H2,1H3,(H,24,25)/t14-/m1/s1