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

Systemtic Name: 2-phenoxyethyl 4-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]butanoate Openeye Name: 2-phenoxyethyl 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 2-phenoxyethyl ester IUPAC Name: 2-phenoxyethyl 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 2-phenoxyethyl ester Formula: C19H20N2O5S MolecularWeight: 388.4375

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N2O5S/c22-18(26-14-13-25-15-7-2-1-3-8-15)11-6-12-20-19-16-9-4-5-10-17(16)27(23,24)21-19/h1-5,7-10H,6,11-14H2,(H,20,21)