quinolin-2-ylmethyl 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanoate

Systemtic Name: quinolin-2-ylmethyl 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanoate Openeye Name: 2-quinolylmethyl 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetate CAS Name: 2-[(5,6-dimethyl-4-thieno[2,3-d]pyrimidinyl)thio]acetic acid 2-quinolinylmethyl ester IUPAC Name: quinolin-2-ylmethyl 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetate Traditional Name: 2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)thio]acetic acid 2-quinolylmethyl ester Formula: C20H17N3O2S2 MolecularWeight: 395.49788

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=NC=N2)SCC(=O)OCC3=NC4=CC=CC=C4C=C3)C

Isomeric SMILES

CC1=C(SC2=C1C(=NC=N2)SCC(=O)OCC3=NC4=CC=CC=C4C=C3)C

InChI

InChI=1S/C20H17N3O2S2/c1-12-13(2)27-20-18(12)19(21-11-22-20)26-10-17(24)25-9-15-8-7-14-5-3-4-6-16(14)23-15/h3-8,11H,9-10H2,1-2H3