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

Systemtic Name: diethyl 2-[[4-(1,3-benzothiazol-2-ylamino)phenyl]carbonylamino]propanedioate Openeye Name: diethyl 2-[[4-(1,3-benzothiazol-2-ylamino)benzoyl]amino]propanedioate CAS Name: 2-[[[4-(1,3-benzothiazol-2-ylamino)phenyl]-oxomethyl]amino]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[[4-(1,3-benzothiazol-2-ylamino)benzoyl]amino]propanedioate Traditional Name: 2-[[4-(1,3-benzothiazol-2-ylamino)benzoyl]amino]malonic acid diethyl ester Formula: C21H21N3O5S MolecularWeight: 427.47354

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O5S/c1-3-28-19(26)17(20(27)29-4-2)24-18(25)13-9-11-14(12-10-13)22-21-23-15-7-5-6-8-16(15)30-21/h5-12,17H,3-4H2,1-2H3,(H,22,23)(H,24,25)