ethyl 2-(2-pyrimidin-2-ylsulfanylpropanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-(2-pyrimidin-2-ylsulfanylpropanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-(2-pyrimidin-2-ylsulfanylpropanoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[1-oxo-2-(2-pyrimidinylthio)propyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(2-pyrimidin-2-ylsulfanylpropanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[2-(2-pyrimidylthio)propanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C18H21N3O3S2 MolecularWeight: 391.50764

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C(C)SC3=NC=CC=N3

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C(C)SC3=NC=CC=N3

InChI

InChI=1S/C18H21N3O3S2/c1-3-24-17(23)14-12-7-4-5-8-13(12)26-16(14)21-15(22)11(2)25-18-19-9-6-10-20-18/h6,9-11H,3-5,7-8H2,1-2H3,(H,21,22)