1,3-benzothiazol-2-ylmethyl 2,5-dimethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 2,5-dimethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: 1,3-benzothiazol-2-ylmethyl 2,5-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 2,5-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 2,5-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-keto-2,5-dimethyl-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C17H13N3O3S2 MolecularWeight: 371.43342

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H13N3O3S2/c1-8-13-15(21)18-9(2)19-16(13)25-14(8)17(22)23-7-12-20-10-5-3-4-6-11(10)24-12/h3-6H,7H2,1-2H3,(H,18,19,21)