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

Systemtic Name: diethyl 2-[2-[4-(1,3-benzothiazol-2-ylamino)-2-methoxy-phenoxy]ethanoylamino]propanedioate Openeye Name: diethyl 2-[[2-[4-(1,3-benzothiazol-2-ylamino)-2-methoxy-phenoxy]acetyl]amino]propanedioate CAS Name: 2-[[2-[4-(1,3-benzothiazol-2-ylamino)-2-methoxyphenoxy]-1-oxoethyl]amino]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[[2-[4-(1,3-benzothiazol-2-ylamino)-2-methoxyphenoxy]acetyl]amino]propanedioate Traditional Name: 2-[[2-[4-(1,3-benzothiazol-2-ylamino)-2-methoxy-phenoxy]acetyl]amino]malonic acid diethyl ester Formula: C23H25N3O7S MolecularWeight: 487.5255

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C23H25N3O7S/c1-4-31-21(28)20(22(29)32-5-2)26-19(27)13-33-16-11-10-14(12-17(16)30-3)24-23-25-15-8-6-7-9-18(15)34-23/h6-12,20H,4-5,13H2,1-3H3,(H,24,25)(H,26,27)