1,3-benzothiazol-2-ylmethyl 2,4-bis(oxidanylidene)-7-propan-2-yl-1-propyl-pyrido[2,3-d]pyrimidine-5-carboxylate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 2,4-bis(oxidanylidene)-7-propan-2-yl-1-propyl-pyrido[2,3-d]pyrimidine-5-carboxylate Openeye Name: 1,3-benzothiazol-2-ylmethyl 7-isopropyl-2,4-dioxo-1-propyl-pyrido[2,3-d]pyrimidine-5-carboxylate CAS Name: 2,4-dioxo-7-propan-2-yl-1-propyl-5-pyrido[2,3-d]pyrimidinecarboxylic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 2,4-dioxo-7-propan-2-yl-1-propylpyrido[2,3-d]pyrimidine-5-carboxylate Traditional Name: 7-isopropyl-2,4-diketo-1-propyl-pyrido[2,3-d]pyrimidine-5-carboxylic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C22H22N4O4S MolecularWeight: 438.49948

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=CC(=N2)C(C)C)C(=O)OCC3=NC4=CC=CC=C4S3)C(=O)NC1=O

Isomeric SMILES

CCCN1C2=C(C(=CC(=N2)C(C)C)C(=O)OCC3=NC4=CC=CC=C4S3)C(=O)NC1=O

InChI

InChI=1S/C22H22N4O4S/c1-4-9-26-19-18(20(27)25-22(26)29)13(10-15(24-19)12(2)3)21(28)30-11-17-23-14-7-5-6-8-16(14)31-17/h5-8,10,12H,4,9,11H2,1-3H3,(H,25,27,29)