(2-oxidanylidene-2-phenylazanyl-ethyl) 4-(1,3-benzothiazol-2-ylsulfanyl)butanoate

Systemtic Name: (2-oxidanylidene-2-phenylazanyl-ethyl) 4-(1,3-benzothiazol-2-ylsulfanyl)butanoate Openeye Name: (2-anilino-2-oxo-ethyl) 4-(1,3-benzothiazol-2-ylsulfanyl)butanoate CAS Name: 4-(1,3-benzothiazol-2-ylthio)butanoic acid (2-anilino-2-oxoethyl) ester IUPAC Name: (2-anilino-2-oxoethyl) 4-(1,3-benzothiazol-2-ylsulfanyl)butanoate Traditional Name: 4-(1,3-benzothiazol-2-ylthio)butyric acid (2-anilino-2-keto-ethyl) ester Formula: C19H18N2O3S2 MolecularWeight: 386.48782

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)COC(=O)CCCSC2=NC3=CC=CC=C3S2

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)COC(=O)CCCSC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C19H18N2O3S2/c22-17(20-14-7-2-1-3-8-14)13-24-18(23)11-6-12-25-19-21-15-9-4-5-10-16(15)26-19/h1-5,7-10H,6,11-13H2,(H,20,22)