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

Systemtic Name: [(2R)-1-[(3-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanoate Openeye Name: [(1R)-2-(3-cyanoanilino)-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-(3-cyanoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(3-cyanoanilino)-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-(3-cyanoanilino)-2-keto-1-methyl-ethyl] ester Formula: C18H14N4O3S2 MolecularWeight: 398.45876

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC(=C1)C#N)OC(=O)CSC2=NC=NC3=C2C=CS3

Isomeric SMILES

C[C@H](C(=O)NC1=CC=CC(=C1)C#N)OC(=O)CSC2=NC=NC3=C2C=CS3

InChI

InChI=1S/C18H14N4O3S2/c1-11(16(24)22-13-4-2-3-12(7-13)8-19)25-15(23)9-27-18-14-5-6-26-17(14)20-10-21-18/h2-7,10-11H,9H2,1H3,(H,22,24)/t11-/m1/s1