1,3-benzothiazol-2-ylmethyl 2-(4-oxidanylidenethieno[2,3-d]pyrimidin-3-yl)ethanoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 2-(4-oxidanylidenethieno[2,3-d]pyrimidin-3-yl)ethanoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetate CAS Name: 2-(4-oxo-3-thieno[2,3-d]pyrimidinyl)acetic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetate Traditional Name: 2-(4-ketothieno[2,3-d]pyrimidin-3-yl)acetic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C16H11N3O3S2 MolecularWeight: 357.40684

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)COC(=O)CN3C=NC4=C(C3=O)C=CS4

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)COC(=O)CN3C=NC4=C(C3=O)C=CS4

InChI

InChI=1S/C16H11N3O3S2/c20-14(7-19-9-17-15-10(16(19)21)5-6-23-15)22-8-13-18-11-3-1-2-4-12(11)24-13/h1-6,9H,7-8H2