(2-azanyl-2-oxidanylidene-1-phenyl-ethyl) 4-(1,3-benzothiazol-2-yl)butanoate

Systemtic Name: (2-azanyl-2-oxidanylidene-1-phenyl-ethyl) 4-(1,3-benzothiazol-2-yl)butanoate Openeye Name: (2-amino-2-oxo-1-phenyl-ethyl) 4-(1,3-benzothiazol-2-yl)butanoate CAS Name: 4-(1,3-benzothiazol-2-yl)butanoic acid (2-amino-2-oxo-1-phenylethyl) ester IUPAC Name: (2-amino-2-oxo-1-phenylethyl) 4-(1,3-benzothiazol-2-yl)butanoate Traditional Name: 4-(1,3-benzothiazol-2-yl)butyric acid (2-amino-2-keto-1-phenyl-ethyl) ester Formula: C19H18N2O3S MolecularWeight: 354.42282

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(=O)N)OC(=O)CCCC2=NC3=CC=CC=C3S2

Isomeric SMILES

C1=CC=C(C=C1)C(C(=O)N)OC(=O)CCCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C19H18N2O3S/c20-19(23)18(13-7-2-1-3-8-13)24-17(22)12-6-11-16-21-14-9-4-5-10-15(14)25-16/h1-5,7-10,18H,6,11-12H2,(H2,20,23)