2-methylpropyl 2-oxidanylidene-5-phenoxy-4-propylsulfanyl-3H-1,3-benzothiazole-6-carboxylate

Systemtic Name: 2-methylpropyl 2-oxidanylidene-5-phenoxy-4-propylsulfanyl-3H-1,3-benzothiazole-6-carboxylate Openeye Name: isobutyl 2-oxo-5-phenoxy-4-propylsulfanyl-3H-1,3-benzothiazole-6-carboxylate CAS Name: 2-oxo-5-phenoxy-4-(propylthio)-3H-1,3-benzothiazole-6-carboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 2-oxo-5-phenoxy-4-propylsulfanyl-3H-1,3-benzothiazole-6-carboxylate Traditional Name: 2-keto-5-phenoxy-4-(propylthio)-3H-1,3-benzothiazole-6-carboxylic acid isobutyl ester Formula: C21H23NO4S2 MolecularWeight: 417.54162

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=C(C(=CC2=C1NC(=O)S2)C(=O)OCC(C)C)OC3=CC=CC=C3

Isomeric SMILES

CCCSC1=C(C(=CC2=C1NC(=O)S2)C(=O)OCC(C)C)OC3=CC=CC=C3

InChI

InChI=1S/C21H23NO4S2/c1-4-10-27-19-17-16(28-21(24)22-17)11-15(20(23)25-12-13(2)3)18(19)26-14-8-6-5-7-9-14/h5-9,11,13H,4,10,12H2,1-3H3,(H,22,24)