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

Systemtic Name: diethyl 2-[2-[4-(1,3-benzothiazol-2-ylamino)-2-chloranyl-phenoxy]ethanoylamino]propanedioate Openeye Name: diethyl 2-[[2-[4-(1,3-benzothiazol-2-ylamino)-2-chloro-phenoxy]acetyl]amino]propanedioate CAS Name: 2-[[2-[4-(1,3-benzothiazol-2-ylamino)-2-chlorophenoxy]-1-oxoethyl]amino]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[[2-[4-(1,3-benzothiazol-2-ylamino)-2-chlorophenoxy]acetyl]amino]propanedioate Traditional Name: 2-[[2-[4-(1,3-benzothiazol-2-ylamino)-2-chloro-phenoxy]acetyl]amino]malonic acid diethyl ester Formula: C22H22ClN3O6S MolecularWeight: 491.94458

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C22H22ClN3O6S/c1-3-30-20(28)19(21(29)31-4-2)26-18(27)12-32-16-10-9-13(11-14(16)23)24-22-25-15-7-5-6-8-17(15)33-22/h5-11,19H,3-4,12H2,1-2H3,(H,24,25)(H,26,27)