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

Systemtic Name: diethyl 2-[2-[4-(1,3-benzothiazol-2-ylamino)-2-methyl-phenoxy]ethanoylamino]propanedioate Openeye Name: diethyl 2-[[2-[4-(1,3-benzothiazol-2-ylamino)-2-methyl-phenoxy]acetyl]amino]propanedioate CAS Name: 2-[[2-[4-(1,3-benzothiazol-2-ylamino)-2-methylphenoxy]-1-oxoethyl]amino]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[[2-[4-(1,3-benzothiazol-2-ylamino)-2-methylphenoxy]acetyl]amino]propanedioate Traditional Name: 2-[[2-[4-(1,3-benzothiazol-2-ylamino)-2-methyl-phenoxy]acetyl]amino]malonic acid diethyl ester Formula: C23H25N3O6S MolecularWeight: 471.5261

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(=O)OCC)NC(=O)COC1=C(C=C(C=C1)NC2=NC3=CC=CC=C3S2)C

Isomeric SMILES

CCOC(=O)C(C(=O)OCC)NC(=O)COC1=C(C=C(C=C1)NC2=NC3=CC=CC=C3S2)C

InChI

InChI=1S/C23H25N3O6S/c1-4-30-21(28)20(22(29)31-5-2)26-19(27)13-32-17-11-10-15(12-14(17)3)24-23-25-16-8-6-7-9-18(16)33-23/h6-12,20H,4-5,13H2,1-3H3,(H,24,25)(H,26,27)