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

Systemtic Name: ethyl 2-(2-pyrimidin-2-ylsulfanylpropanoylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Openeye Name: ethyl 2-(2-pyrimidin-2-ylsulfanylpropanoylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate CAS Name: 2-[[1-oxo-2-(2-pyrimidinylthio)propyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(2-pyrimidin-2-ylsulfanylpropanoylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Traditional Name: 2-[2-(2-pyrimidylthio)propanoylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid ethyl ester Formula: C19H23N3O3S2 MolecularWeight: 405.53422

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCCC2)NC(=O)C(C)SC3=NC=CC=N3

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCCC2)NC(=O)C(C)SC3=NC=CC=N3

InChI

InChI=1S/C19H23N3O3S2/c1-3-25-18(24)15-13-8-5-4-6-9-14(13)27-17(15)22-16(23)12(2)26-19-20-10-7-11-21-19/h7,10-12H,3-6,8-9H2,1-2H3,(H,22,23)