[(2R)-1-azanyl-1-oxidanylidene-propan-2-yl] 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylbenzoate

Systemtic Name: [(2R)-1-azanyl-1-oxidanylidene-propan-2-yl] 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylbenzoate Openeye Name: [(1R)-2-amino-1-methyl-2-oxo-ethyl] 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylbenzoate CAS Name: 2-[(5,6-dimethyl-4-thieno[2,3-d]pyrimidinyl)thio]benzoic acid [(2R)-1-amino-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-amino-1-oxopropan-2-yl] 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylbenzoate Traditional Name: 2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)thio]benzoic acid [(1R)-2-amino-2-keto-1-methyl-ethyl] ester Formula: C18H17N3O3S2 MolecularWeight: 387.47588

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=NC=N2)SC3=CC=CC=C3C(=O)OC(C)C(=O)N)C

Isomeric SMILES

CC1=C(SC2=C1C(=NC=N2)SC3=CC=CC=C3C(=O)O[C@H](C)C(=O)N)C

InChI

InChI=1S/C18H17N3O3S2/c1-9-11(3)25-16-14(9)17(21-8-20-16)26-13-7-5-4-6-12(13)18(23)24-10(2)15(19)22/h4-8,10H,1-3H3,(H2,19,22)/t10-/m1/s1