butyl 4-(2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanoylamino)benzoate

Systemtic Name: butyl 4-(2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanoylamino)benzoate Openeye Name: butyl 4-[(2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetyl)amino]benzoate CAS Name: 4-[[1-oxo-2-(4-thieno[2,3-d]pyrimidinylthio)ethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[(2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetyl)amino]benzoate Traditional Name: 4-[[2-(thieno[2,3-d]pyrimidin-4-ylthio)acetyl]amino]benzoic acid butyl ester Formula: C19H19N3O3S2 MolecularWeight: 401.50246

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC=NC3=C2C=CS3

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC=NC3=C2C=CS3

InChI

InChI=1S/C19H19N3O3S2/c1-2-3-9-25-19(24)13-4-6-14(7-5-13)22-16(23)11-27-18-15-8-10-26-17(15)20-12-21-18/h4-8,10,12H,2-3,9,11H2,1H3,(H,22,23)