ethyl 2-(2-pyridin-2-ylsulfanylethanoylamino)-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophene-3-carboxylate

Systemtic Name: ethyl 2-(2-pyridin-2-ylsulfanylethanoylamino)-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(2-pyridylsulfanyl)acetyl]amino]-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophene-3-carboxylate CAS Name: 2-[[1-oxo-2-(2-pyridinylthio)ethyl]amino]-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(2-pyridin-2-ylsulfanylacetyl)amino]-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophene-3-carboxylate Traditional Name: 2-[[2-(2-pyridylthio)acetyl]amino]-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophene-3-carboxylic acid ethyl ester Formula: C17H20N2O3S2 MolecularWeight: 364.4823

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2C1CCC2)NC(=O)CSC3=CC=CC=N3

Isomeric SMILES

CCOC(=O)C1=C(SC2C1CCC2)NC(=O)CSC3=CC=CC=N3

InChI

InChI=1S/C17H20N2O3S2/c1-2-22-17(21)15-11-6-5-7-12(11)24-16(15)19-13(20)10-23-14-8-3-4-9-18-14/h3-4,8-9,11-12H,2,5-7,10H2,1H3,(H,19,20)