[(2R)-1-oxidanylidene-1-[(phenylmethyl)amino]propan-2-yl] 2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanoate

Systemtic Name: [(2R)-1-oxidanylidene-1-[(phenylmethyl)amino]propan-2-yl] 2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanoate Openeye Name: [(1R)-2-(benzylamino)-1-methyl-2-oxo-ethyl] 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate CAS Name: 2-(4-thieno[2,3-d]pyrimidinylthio)acetic acid [(2R)-1-oxo-1-[(phenylmethyl)amino]propan-2-yl] ester IUPAC Name: [(2R)-1-(benzylamino)-1-oxopropan-2-yl] 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate Traditional Name: 2-(thieno[2,3-d]pyrimidin-4-ylthio)acetic acid [(1R)-2-(benzylamino)-2-keto-1-methyl-ethyl] ester Formula: C18H17N3O3S2 MolecularWeight: 387.47588

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CC=C1)OC(=O)CSC2=NC=NC3=C2C=CS3

Isomeric SMILES

C[C@H](C(=O)NCC1=CC=CC=C1)OC(=O)CSC2=NC=NC3=C2C=CS3

InChI

InChI=1S/C18H17N3O3S2/c1-12(16(23)19-9-13-5-3-2-4-6-13)24-15(22)10-26-18-14-7-8-25-17(14)20-11-21-18/h2-8,11-12H,9-10H2,1H3,(H,19,23)/t12-/m1/s1