2-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]ethyl 4-butoxybenzoate

Systemtic Name: 2-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]ethyl 4-butoxybenzoate Openeye Name: 2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)ethyl 4-butoxybenzoate CAS Name: 4-butoxybenzoic acid 2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)ethyl ester IUPAC Name: 2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)ethyl 4-butoxybenzoate Traditional Name: 4-butoxybenzoic acid 2-(1,1,3-triketo-1,2-benzothiazol-2-yl)ethyl ester Formula: C20H21NO6S MolecularWeight: 403.44884

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)OCCN2C(=O)C3=CC=CC=C3S2(=O)=O

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)OCCN2C(=O)C3=CC=CC=C3S2(=O)=O

InChI

InChI=1S/C20H21NO6S/c1-2-3-13-26-16-10-8-15(9-11-16)20(23)27-14-12-21-19(22)17-6-4-5-7-18(17)28(21,24)25/h4-11H,2-3,12-14H2,1H3