2-methylpropyl 6-ethoxy-2-oxidanylidene-5-phenoxy-4-propylsulfanyl-3H-1,3-benzothiazole-7-carboxylate

Systemtic Name: 2-methylpropyl 6-ethoxy-2-oxidanylidene-5-phenoxy-4-propylsulfanyl-3H-1,3-benzothiazole-7-carboxylate Openeye Name: isobutyl 6-ethoxy-2-oxo-5-phenoxy-4-propylsulfanyl-3H-1,3-benzothiazole-7-carboxylate CAS Name: 6-ethoxy-2-oxo-5-phenoxy-4-(propylthio)-3H-1,3-benzothiazole-7-carboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 6-ethoxy-2-oxo-5-phenoxy-4-propylsulfanyl-3H-1,3-benzothiazole-7-carboxylate Traditional Name: 6-ethoxy-2-keto-5-phenoxy-4-(propylthio)-3H-1,3-benzothiazole-7-carboxylic acid isobutyl ester Formula: C23H27NO5S2 MolecularWeight: 461.59418

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=C(C(=C(C2=C1NC(=O)S2)C(=O)OCC(C)C)OCC)OC3=CC=CC=C3

Isomeric SMILES

CCCSC1=C(C(=C(C2=C1NC(=O)S2)C(=O)OCC(C)C)OCC)OC3=CC=CC=C3

InChI

InChI=1S/C23H27NO5S2/c1-5-12-30-21-17-20(31-23(26)24-17)16(22(25)28-13-14(3)4)18(27-6-2)19(21)29-15-10-8-7-9-11-15/h7-11,14H,5-6,12-13H2,1-4H3,(H,24,26)