(2-oxidanylidene-2-phenylazanyl-ethyl) 2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanoate

Systemtic Name: (2-oxidanylidene-2-phenylazanyl-ethyl) 2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanoate Openeye Name: (2-anilino-2-oxo-ethyl) 2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetate CAS Name: 2-[(2,5,6-trimethyl-4-thieno[2,3-d]pyrimidinyl)thio]acetic acid (2-anilino-2-oxoethyl) ester IUPAC Name: (2-anilino-2-oxoethyl) 2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetate Traditional Name: 2-[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)thio]acetic acid (2-anilino-2-keto-ethyl) ester Formula: C19H19N3O3S2 MolecularWeight: 401.50246

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=NC(=N2)C)SCC(=O)OCC(=O)NC3=CC=CC=C3)C

Isomeric SMILES

CC1=C(SC2=C1C(=NC(=N2)C)SCC(=O)OCC(=O)NC3=CC=CC=C3)C

InChI

InChI=1S/C19H19N3O3S2/c1-11-12(2)27-19-17(11)18(20-13(3)21-19)26-10-16(24)25-9-15(23)22-14-7-5-4-6-8-14/h4-8H,9-10H2,1-3H3,(H,22,23)