methyl 3-methyl-2-[2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanoylamino]pentanoate

Systemtic Name: methyl 3-methyl-2-[2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanoylamino]pentanoate Openeye Name: methyl 3-methyl-2-[[2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]amino]pentanoate CAS Name: 3-methyl-2-[[1-oxo-2-[(5-phenyl-4-thieno[2,3-d]pyrimidinyl)thio]ethyl]amino]pentanoic acid methyl ester IUPAC Name: methyl 3-methyl-2-[[2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]amino]pentanoate Traditional Name: 3-methyl-2-[[2-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)thio]acetyl]amino]valeric acid methyl ester Formula: C21H23N3O3S2 MolecularWeight: 429.55562

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)OC)NC(=O)CSC1=NC=NC2=C1C(=CS2)C3=CC=CC=C3

Isomeric SMILES

CCC(C)C(C(=O)OC)NC(=O)CSC1=NC=NC2=C1C(=CS2)C3=CC=CC=C3

InChI

InChI=1S/C21H23N3O3S2/c1-4-13(2)18(21(26)27-3)24-16(25)11-29-20-17-15(14-8-6-5-7-9-14)10-28-19(17)22-12-23-20/h5-10,12-13,18H,4,11H2,1-3H3,(H,24,25)