ethyl 3,5-dimethyl-4-(2-thieno[3,2-d]pyrimidin-4-ylsulfanylethanoyl)-1H-pyrrole-2-carboxylate

Systemtic Name: ethyl 3,5-dimethyl-4-(2-thieno[3,2-d]pyrimidin-4-ylsulfanylethanoyl)-1H-pyrrole-2-carboxylate Openeye Name: ethyl 3,5-dimethyl-4-(2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetyl)-1H-pyrrole-2-carboxylate CAS Name: 3,5-dimethyl-4-[1-oxo-2-(4-thieno[3,2-d]pyrimidinylthio)ethyl]-1H-pyrrole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3,5-dimethyl-4-(2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetyl)-1H-pyrrole-2-carboxylate Traditional Name: 3,5-dimethyl-4-[2-(thieno[3,2-d]pyrimidin-4-ylthio)acetyl]-1H-pyrrole-2-carboxylic acid ethyl ester Formula: C17H17N3O3S2 MolecularWeight: 375.46518

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1)C)C(=O)CSC2=NC=NC3=C2SC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1)C)C(=O)CSC2=NC=NC3=C2SC=C3)C

InChI

InChI=1S/C17H17N3O3S2/c1-4-23-17(22)14-9(2)13(10(3)20-14)12(21)7-25-16-15-11(5-6-24-15)18-8-19-16/h5-6,8,20H,4,7H2,1-3H3