1,3-benzothiazol-2-ylmethyl 2,4-bis(oxidanylidene)-1H-pyrimidine-6-carboxylate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 2,4-bis(oxidanylidene)-1H-pyrimidine-6-carboxylate Openeye Name: 1,3-benzothiazol-2-ylmethyl 2,4-dioxo-1H-pyrimidine-6-carboxylate CAS Name: 2,4-dioxo-1H-pyrimidine-6-carboxylic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 2,4-dioxo-1H-pyrimidine-6-carboxylate Traditional Name: 2,4-diketo-1H-pyrimidine-6-carboxylic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C13H9N3O4S MolecularWeight: 303.29326

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)COC(=O)C3=CC(=O)NC(=O)N3

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)COC(=O)C3=CC(=O)NC(=O)N3

InChI

InChI=1S/C13H9N3O4S/c17-10-5-8(15-13(19)16-10)12(18)20-6-11-14-7-3-1-2-4-9(7)21-11/h1-5H,6H2,(H2,15,16,17,19)