ethyl 2-(2-pyrimidin-2-ylsulfanylethanoylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate

Systemtic Name: ethyl 2-(2-pyrimidin-2-ylsulfanylethanoylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Openeye Name: ethyl 2-[(2-pyrimidin-2-ylsulfanylacetyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate CAS Name: 2-[[1-oxo-2-(2-pyrimidinylthio)ethyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(2-pyrimidin-2-ylsulfanylacetyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Traditional Name: 2-[[2-(2-pyrimidylthio)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid ethyl ester Formula: C16H17N3O3S2 MolecularWeight: 363.45448

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCC2)NC(=O)CSC3=NC=CC=N3

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCC2)NC(=O)CSC3=NC=CC=N3

InChI

InChI=1S/C16H17N3O3S2/c1-2-22-15(21)13-10-5-3-6-11(10)24-14(13)19-12(20)9-23-16-17-7-4-8-18-16/h4,7-8H,2-3,5-6,9H2,1H3,(H,19,20)