[(2S)-1-[(2-methoxyphenyl)methylamino]-1-oxidanylidene-propan-2-yl] 2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanoate

Systemtic Name: [(2S)-1-[(2-methoxyphenyl)methylamino]-1-oxidanylidene-propan-2-yl] 2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanoate Openeye Name: [(1S)-2-[(2-methoxyphenyl)methylamino]-1-methyl-2-oxo-ethyl] 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate CAS Name: 2-(4-thieno[2,3-d]pyrimidinylthio)acetic acid [(2S)-1-[(2-methoxyphenyl)methylamino]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-[(2-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate Traditional Name: 2-(thieno[2,3-d]pyrimidin-4-ylthio)acetic acid [(1S)-2-keto-1-methyl-2-(o-anisylamino)ethyl] ester Formula: C19H19N3O4S2 MolecularWeight: 417.50186

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CC=C1OC)OC(=O)CSC2=NC=NC3=C2C=CS3

Isomeric SMILES

C[C@@H](C(=O)NCC1=CC=CC=C1OC)OC(=O)CSC2=NC=NC3=C2C=CS3

InChI

InChI=1S/C19H19N3O4S2/c1-12(17(24)20-9-13-5-3-4-6-15(13)25-2)26-16(23)10-28-19-14-7-8-27-18(14)21-11-22-19/h3-8,11-12H,9-10H2,1-2H3,(H,20,24)/t12-/m0/s1