diethyl 2-[3-[4-(1,3-benzothiazol-2-ylamino)phenyl]propanoylamino]propanedioate

Systemtic Name: diethyl 2-[3-[4-(1,3-benzothiazol-2-ylamino)phenyl]propanoylamino]propanedioate Openeye Name: diethyl 2-[3-[4-(1,3-benzothiazol-2-ylamino)phenyl]propanoylamino]propanedioate CAS Name: 2-[[3-[4-(1,3-benzothiazol-2-ylamino)phenyl]-1-oxopropyl]amino]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[3-[4-(1,3-benzothiazol-2-ylamino)phenyl]propanoylamino]propanedioate Traditional Name: 2-[3-[4-(1,3-benzothiazol-2-ylamino)phenyl]propanoylamino]malonic acid diethyl ester Formula: C23H25N3O5S MolecularWeight: 455.5267

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(=O)OCC)NC(=O)CCC1=CC=C(C=C1)NC2=NC3=CC=CC=C3S2

Isomeric SMILES

CCOC(=O)C(C(=O)OCC)NC(=O)CCC1=CC=C(C=C1)NC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C23H25N3O5S/c1-3-30-21(28)20(22(29)31-4-2)26-19(27)14-11-15-9-12-16(13-10-15)24-23-25-17-7-5-6-8-18(17)32-23/h5-10,12-13,20H,3-4,11,14H2,1-2H3,(H,24,25)(H,26,27)