diethyl 2-[2-[4-[(4-methyl-1,3-benzothiazol-2-yl)amino]phenyl]ethanoylamino]propanedioate

Systemtic Name: diethyl 2-[2-[4-[(4-methyl-1,3-benzothiazol-2-yl)amino]phenyl]ethanoylamino]propanedioate Openeye Name: diethyl 2-[[2-[4-[(4-methyl-1,3-benzothiazol-2-yl)amino]phenyl]acetyl]amino]propanedioate CAS Name: 2-[[2-[4-[(4-methyl-1,3-benzothiazol-2-yl)amino]phenyl]-1-oxoethyl]amino]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[[2-[4-[(4-methyl-1,3-benzothiazol-2-yl)amino]phenyl]acetyl]amino]propanedioate Traditional Name: 2-[[2-[4-[(4-methyl-1,3-benzothiazol-2-yl)amino]phenyl]acetyl]amino]malonic acid diethyl ester Formula: C23H25N3O5S MolecularWeight: 455.5267

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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=C(C=CC=C3S2)C

Isomeric SMILES

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

InChI

InChI=1S/C23H25N3O5S/c1-4-30-21(28)20(22(29)31-5-2)25-18(27)13-15-9-11-16(12-10-15)24-23-26-19-14(3)7-6-8-17(19)32-23/h6-12,20H,4-5,13H2,1-3H3,(H,24,26)(H,25,27)