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

Systemtic Name: methyl 4-[(2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanoylamino)methyl]benzoate Openeye Name: methyl 4-[[(2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetyl)amino]methyl]benzoate CAS Name: 4-[[[1-oxo-2-(4-thieno[2,3-d]pyrimidinylthio)ethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[(2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetyl)amino]methyl]benzoate Traditional Name: 4-[[[2-(thieno[2,3-d]pyrimidin-4-ylthio)acetyl]amino]methyl]benzoic acid methyl ester Formula: C17H15N3O3S2 MolecularWeight: 373.4493

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15N3O3S2/c1-23-17(22)12-4-2-11(3-5-12)8-18-14(21)9-25-16-13-6-7-24-15(13)19-10-20-16/h2-7,10H,8-9H2,1H3,(H,18,21)