O1-(1,3-benzothiazol-2-ylsulfanyl) O3-propan-2-yl 2-propan-2-ylpropanedioate

Systemtic Name: O1-(1,3-benzothiazol-2-ylsulfanyl) O3-propan-2-yl 2-propan-2-ylpropanedioate Openeye Name: O1-(1,3-benzothiazol-2-ylsulfanyl) O3-isopropyl 2-isopropylpropanedioate CAS Name: 2-propan-2-ylpropanedioic acid O1-(1,3-benzothiazol-2-ylthio) ester O3-propan-2-yl ester IUPAC Name: 1-O-(1,3-benzothiazol-2-ylsulfanyl) 3-O-propan-2-yl 2-propan-2-ylpropanedioate Traditional Name: 2-isopropylmalonic acid O1-(1,3-benzothiazol-2-ylthio) ester O3-isopropyl ester Formula: C16H19NO4S2 MolecularWeight: 353.45636

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC(C)C)C(=O)OSC1=NC2=CC=CC=C2S1

Isomeric SMILES

CC(C)C(C(=O)OC(C)C)C(=O)OSC1=NC2=CC=CC=C2S1

InChI

InChI=1S/C16H19NO4S2/c1-9(2)13(14(18)20-10(3)4)15(19)21-23-16-17-11-7-5-6-8-12(11)22-16/h5-10,13H,1-4H3