methyl 2-(2-pyrimidin-2-ylsulfanylethanoylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate

Systemtic Name: methyl 2-(2-pyrimidin-2-ylsulfanylethanoylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Openeye Name: methyl 2-[(2-pyrimidin-2-ylsulfanylacetyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate CAS Name: 2-[[1-oxo-2-(2-pyrimidinylthio)ethyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[(2-pyrimidin-2-ylsulfanylacetyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Traditional Name: 2-[[2-(2-pyrimidylthio)acetyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid methyl ester Formula: C17H19N3O3S2 MolecularWeight: 377.48106

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1CCCCC2)NC(=O)CSC3=NC=CC=N3

Isomeric SMILES

COC(=O)C1=C(SC2=C1CCCCC2)NC(=O)CSC3=NC=CC=N3

InChI

InChI=1S/C17H19N3O3S2/c1-23-16(22)14-11-6-3-2-4-7-12(11)25-15(14)20-13(21)10-24-17-18-8-5-9-19-17/h5,8-9H,2-4,6-7,10H2,1H3,(H,20,21)