methyl (2S)-3-phenyl-2-(2-thieno[3,2-d]pyrimidin-4-ylsulfanylethanoylamino)propanoate

Systemtic Name: methyl (2S)-3-phenyl-2-(2-thieno[3,2-d]pyrimidin-4-ylsulfanylethanoylamino)propanoate Openeye Name: methyl (2S)-3-phenyl-2-[(2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetyl)amino]propanoate CAS Name: (2S)-2-[[1-oxo-2-(4-thieno[3,2-d]pyrimidinylthio)ethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-3-phenyl-2-[(2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetyl)amino]propanoate Traditional Name: (2S)-3-phenyl-2-[[2-(thieno[3,2-d]pyrimidin-4-ylthio)acetyl]amino]propionic acid methyl ester Formula: C18H17N3O3S2 MolecularWeight: 387.47588

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)NC(=O)CSC2=NC=NC3=C2SC=C3

Isomeric SMILES

COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)CSC2=NC=NC3=C2SC=C3

InChI

InChI=1S/C18H17N3O3S2/c1-24-18(23)14(9-12-5-3-2-4-6-12)21-15(22)10-26-17-16-13(7-8-25-16)19-11-20-17/h2-8,11,14H,9-10H2,1H3,(H,21,22)/t14-/m0/s1