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

Systemtic Name: methyl (2R)-2-[2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanoylamino]-3-phenyl-propanoate Openeye Name: methyl (2R)-2-[[2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]amino]-3-phenyl-propanoate CAS Name: (2R)-2-[[2-[(6-ethyl-4-thieno[2,3-d]pyrimidinyl)thio]-1-oxoethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2R)-2-[[2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]amino]-3-phenylpropanoate Traditional Name: (2R)-2-[[2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)thio]acetyl]amino]-3-phenyl-propionic acid methyl ester Formula: C20H21N3O3S2 MolecularWeight: 415.52904

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(S1)N=CN=C2SCC(=O)NC(CC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CCC1=CC2=C(S1)N=CN=C2SCC(=O)N[C@H](CC3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C20H21N3O3S2/c1-3-14-10-15-18(21-12-22-19(15)28-14)27-11-17(24)23-16(20(25)26-2)9-13-7-5-4-6-8-13/h4-8,10,12,16H,3,9,11H2,1-2H3,(H,23,24)/t16-/m1/s1