methyl 4-[[2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanoylamino]methyl]benzoate

Systemtic Name: methyl 4-[[2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanoylamino]methyl]benzoate Openeye Name: methyl 4-[[[2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]amino]methyl]benzoate CAS Name: 4-[[[1-oxo-2-[(6-phenyl-4-thieno[2,3-d]pyrimidinyl)thio]ethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]amino]methyl]benzoate Traditional Name: 4-[[[2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)thio]acetyl]amino]methyl]benzoic acid methyl ester Formula: C23H19N3O3S2 MolecularWeight: 449.54526

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CNC(=O)CSC2=NC=NC3=C2C=C(S3)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CNC(=O)CSC2=NC=NC3=C2C=C(S3)C4=CC=CC=C4

InChI

InChI=1S/C23H19N3O3S2/c1-29-23(28)17-9-7-15(8-10-17)12-24-20(27)13-30-21-18-11-19(16-5-3-2-4-6-16)31-22(18)26-14-25-21/h2-11,14H,12-13H2,1H3,(H,24,27)