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

Systemtic Name: propyl 6-methyl-2-(pyrazin-2-ylcarbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: propyl 6-methyl-2-(pyrazine-2-carbonylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 6-methyl-2-[[oxo(2-pyrazinyl)methyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid propyl ester IUPAC Name: propyl 6-methyl-2-(pyrazine-2-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 6-methyl-2-(pyrazinoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid propyl ester Formula: C18H21N3O3S MolecularWeight: 359.44264

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)C3=NC=CN=C3

Isomeric SMILES

CCCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)C3=NC=CN=C3

InChI

InChI=1S/C18H21N3O3S/c1-3-8-24-18(23)15-12-5-4-11(2)9-14(12)25-17(15)21-16(22)13-10-19-6-7-20-13/h6-7,10-11H,3-5,8-9H2,1-2H3,(H,21,22)