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

Systemtic Name: 2-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]ethyl 4-pentoxybenzoate Openeye Name: 2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)ethyl 4-pentoxybenzoate CAS Name: 4-pentoxybenzoic 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-pentoxybenzoate Traditional Name: 4-amoxybenzoic acid 2-(1,1,3-triketo-1,2-benzothiazol-2-yl)ethyl ester Formula: C21H23NO6S MolecularWeight: 417.47542

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C(=O)OCCN2C(=O)C3=CC=CC=C3S2(=O)=O

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C(=O)OCCN2C(=O)C3=CC=CC=C3S2(=O)=O

InChI

InChI=1S/C21H23NO6S/c1-2-3-6-14-27-17-11-9-16(10-12-17)21(24)28-15-13-22-20(23)18-7-4-5-8-19(18)29(22,25)26/h4-5,7-12H,2-3,6,13-15H2,1H3