ethyl 6-methyl-2-(2-pyridin-2-ylsulfanylethanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 6-methyl-2-(2-pyridin-2-ylsulfanylethanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 6-methyl-2-[[2-(2-pyridylsulfanyl)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 6-methyl-2-[[1-oxo-2-(2-pyridinylthio)ethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-methyl-2-[(2-pyridin-2-ylsulfanylacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 6-methyl-2-[[2-(2-pyridylthio)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C19H22N2O3S2 MolecularWeight: 390.51958

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)CSC3=CC=CC=N3

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)CSC3=CC=CC=N3

InChI

InChI=1S/C19H22N2O3S2/c1-3-24-19(23)17-13-8-7-12(2)10-14(13)26-18(17)21-15(22)11-25-16-6-4-5-9-20-16/h4-6,9,12H,3,7-8,10-11H2,1-2H3,(H,21,22)