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

Systemtic Name: diethyl 2-[4-[4-(1,3-benzothiazol-2-ylamino)phenyl]butanoylamino]propanedioate Openeye Name: diethyl 2-[4-[4-(1,3-benzothiazol-2-ylamino)phenyl]butanoylamino]propanedioate CAS Name: 2-[[4-[4-(1,3-benzothiazol-2-ylamino)phenyl]-1-oxobutyl]amino]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[4-[4-(1,3-benzothiazol-2-ylamino)phenyl]butanoylamino]propanedioate Traditional Name: 2-[4-[4-(1,3-benzothiazol-2-ylamino)phenyl]butanoylamino]malonic acid diethyl ester Formula: C24H27N3O5S MolecularWeight: 469.55328

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(=O)OCC)NC(=O)CCCC1=CC=C(C=C1)NC2=NC3=CC=CC=C3S2

Isomeric SMILES

CCOC(=O)C(C(=O)OCC)NC(=O)CCCC1=CC=C(C=C1)NC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C24H27N3O5S/c1-3-31-22(29)21(23(30)32-4-2)27-20(28)11-7-8-16-12-14-17(15-13-16)25-24-26-18-9-5-6-10-19(18)33-24/h5-6,9-10,12-15,21H,3-4,7-8,11H2,1-2H3,(H,25,26)(H,27,28)