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

Systemtic Name: diethyl 2-[2-[4-(1,3-benzothiazol-2-ylamino)phenyl]ethanoylamino]propanedioate Openeye Name: diethyl 2-[[2-[4-(1,3-benzothiazol-2-ylamino)phenyl]acetyl]amino]propanedioate CAS Name: 2-[[2-[4-(1,3-benzothiazol-2-ylamino)phenyl]-1-oxoethyl]amino]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[[2-[4-(1,3-benzothiazol-2-ylamino)phenyl]acetyl]amino]propanedioate Traditional Name: 2-[[2-[4-(1,3-benzothiazol-2-ylamino)phenyl]acetyl]amino]malonic acid diethyl ester Formula: C22H23N3O5S MolecularWeight: 441.50012

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(=O)OCC)NC(=O)CC1=CC=C(C=C1)NC2=NC3=CC=CC=C3S2

Isomeric SMILES

CCOC(=O)C(C(=O)OCC)NC(=O)CC1=CC=C(C=C1)NC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C22H23N3O5S/c1-3-29-20(27)19(21(28)30-4-2)25-18(26)13-14-9-11-15(12-10-14)23-22-24-16-7-5-6-8-17(16)31-22/h5-12,19H,3-4,13H2,1-2H3,(H,23,24)(H,25,26)