methyl (2R)-2-[2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanoylamino]-4-methyl-pentanoate

Systemtic Name: methyl (2R)-2-[2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanoylamino]-4-methyl-pentanoate Openeye Name: methyl (2R)-2-[[2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]amino]-4-methyl-pentanoate CAS Name: (2R)-2-[[2-[(6-ethyl-4-thieno[2,3-d]pyrimidinyl)thio]-1-oxoethyl]amino]-4-methylpentanoic acid methyl ester IUPAC Name: methyl (2R)-2-[[2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]amino]-4-methylpentanoate Traditional Name: (2R)-2-[[2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)thio]acetyl]amino]-4-methyl-valeric acid methyl ester Formula: C17H23N3O3S2 MolecularWeight: 381.51282

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(S1)N=CN=C2SCC(=O)NC(CC(C)C)C(=O)OC

Isomeric SMILES

CCC1=CC2=C(S1)N=CN=C2SCC(=O)N[C@H](CC(C)C)C(=O)OC

InChI

InChI=1S/C17H23N3O3S2/c1-5-11-7-12-15(18-9-19-16(12)25-11)24-8-14(21)20-13(6-10(2)3)17(22)23-4/h7,9-10,13H,5-6,8H2,1-4H3,(H,20,21)/t13-/m1/s1