1,3-benzothiazol-2-ylmethyl 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 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 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-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 1,3-benzothiazol-2-ylmethyl ester Formula: C18H15N3O2S3 MolecularWeight: 401.5256

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=NC=N2)SCC(=O)OCC3=NC4=CC=CC=C4S3)C

Isomeric SMILES

CC1=C(SC2=C1C(=NC=N2)SCC(=O)OCC3=NC4=CC=CC=C4S3)C

InChI

InChI=1S/C18H15N3O2S3/c1-10-11(2)25-18-16(10)17(19-9-20-18)24-8-15(22)23-7-14-21-12-5-3-4-6-13(12)26-14/h3-6,9H,7-8H2,1-2H3