dibutyl 5-[2-(1,3-benzothiazol-2-yl)propanoylamino]benzene-1,3-dicarboxylate

Systemtic Name: dibutyl 5-[2-(1,3-benzothiazol-2-yl)propanoylamino]benzene-1,3-dicarboxylate Openeye Name: dibutyl 5-[2-(1,3-benzothiazol-2-yl)propanoylamino]benzene-1,3-dicarboxylate CAS Name: 5-[[2-(1,3-benzothiazol-2-yl)-1-oxopropyl]amino]benzene-1,3-dicarboxylic acid dibutyl ester IUPAC Name: dibutyl 5-[2-(1,3-benzothiazol-2-yl)propanoylamino]benzene-1,3-dicarboxylate Traditional Name: 5-[2-(1,3-benzothiazol-2-yl)propanoylamino]benzene-1,3-dicarboxylic acid dibutyl ester Formula: C26H30N2O5S MolecularWeight: 482.5918

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC(=CC(=C1)NC(=O)C(C)C2=NC3=CC=CC=C3S2)C(=O)OCCCC

Isomeric SMILES

CCCCOC(=O)C1=CC(=CC(=C1)NC(=O)C(C)C2=NC3=CC=CC=C3S2)C(=O)OCCCC

InChI

InChI=1S/C26H30N2O5S/c1-4-6-12-32-25(30)18-14-19(26(31)33-13-7-5-2)16-20(15-18)27-23(29)17(3)24-28-21-10-8-9-11-22(21)34-24/h8-11,14-17H,4-7,12-13H2,1-3H3,(H,27,29)