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

Systemtic Name: methyl (6R)-6-ethyl-2-(pyrazin-2-ylcarbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl (6R)-6-ethyl-2-(pyrazine-2-carbonylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: (6R)-6-ethyl-2-[[oxo(2-pyrazinyl)methyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl (6R)-6-ethyl-2-(pyrazine-2-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: (6R)-6-ethyl-2-(pyrazinoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C17H19N3O3S MolecularWeight: 345.41606

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)C3=NC=CN=C3

Isomeric SMILES

CC[C@@H]1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)C3=NC=CN=C3

InChI

InChI=1S/C17H19N3O3S/c1-3-10-4-5-11-13(8-10)24-16(14(11)17(22)23-2)20-15(21)12-9-18-6-7-19-12/h6-7,9-10H,3-5,8H2,1-2H3,(H,20,21)/t10-/m1/s1