phenacyl 4-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]butanoate

Systemtic Name: phenacyl 4-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]butanoate Openeye Name: phenacyl 4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]butanoate CAS Name: 4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]butanoic acid phenacyl ester IUPAC Name: phenacyl 4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]butanoate Traditional Name: 4-[(1,1-diketo-1,2-benzothiazol-3-yl)amino]butyric acid phenacyl ester Formula: C19H18N2O5S MolecularWeight: 386.42162

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)COC(=O)CCCNC2=NS(=O)(=O)C3=CC=CC=C32

Isomeric SMILES

C1=CC=C(C=C1)C(=O)COC(=O)CCCNC2=NS(=O)(=O)C3=CC=CC=C32

InChI

InChI=1S/C19H18N2O5S/c22-16(14-7-2-1-3-8-14)13-26-18(23)11-6-12-20-19-15-9-4-5-10-17(15)27(24,25)21-19/h1-5,7-10H,6,11-13H2,(H,20,21)