1,3-benzothiazol-2-ylmethyl 2-(5,6-dimethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl)ethanoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 2-(5,6-dimethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl)ethanoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 2-(5,6-dimethyl-4-oxo-thieno[2,3-d]pyrimidin-3-yl)acetate CAS Name: 2-(5,6-dimethyl-4-oxo-3-thieno[2,3-d]pyrimidinyl)acetic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetate Traditional Name: 2-(4-keto-5,6-dimethyl-thieno[2,3-d]pyrimidin-3-yl)acetic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C18H15N3O3S2 MolecularWeight: 385.46

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15N3O3S2/c1-10-11(2)25-17-16(10)18(23)21(9-19-17)7-15(22)24-8-14-20-12-5-3-4-6-13(12)26-14/h3-6,9H,7-8H2,1-2H3