[2-oxidanylidene-2-[4-(propanoylamino)phenyl]ethyl] 4-(1,3-benzothiazol-2-yl)butanoate

Systemtic Name: [2-oxidanylidene-2-[4-(propanoylamino)phenyl]ethyl] 4-(1,3-benzothiazol-2-yl)butanoate Openeye Name: [2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 4-(1,3-benzothiazol-2-yl)butanoate CAS Name: 4-(1,3-benzothiazol-2-yl)butanoic acid [2-oxo-2-[4-(1-oxopropylamino)phenyl]ethyl] ester IUPAC Name: [2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 4-(1,3-benzothiazol-2-yl)butanoate Traditional Name: 4-(1,3-benzothiazol-2-yl)butyric acid [2-keto-2-(4-propionamidophenyl)ethyl] ester Formula: C22H22N2O4S MolecularWeight: 410.48608

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)CCCC2=NC3=CC=CC=C3S2

Isomeric SMILES

CCC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)CCCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C22H22N2O4S/c1-2-20(26)23-16-12-10-15(11-13-16)18(25)14-28-22(27)9-5-8-21-24-17-6-3-4-7-19(17)29-21/h3-4,6-7,10-13H,2,5,8-9,14H2,1H3,(H,23,26)